КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4
The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-melting and its crystal structure was determined by the single-crystal X-ray diffraction. The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group P63/mmc (No. 194), a = 8.0985(16), c = 8.5...
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| Дата: | 2020 |
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| Автори: | , , , , |
| Формат: | Стаття |
| Мова: | Англійська |
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V.I.Vernadsky Institute of General and Inorganic Chemistry
2020
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Репозитарії
Ukrainian Chemistry Journal| _version_ | 1871465456181706752 |
|---|---|
| author | Belan, Bohdana Manyako, Mykola Dzevenko, Mariya Kowalska, Dorota Gladyshevskii, Roman |
| author_facet | Belan, Bohdana Manyako, Mykola Dzevenko, Mariya Kowalska, Dorota Gladyshevskii, Roman |
| author_institution_txt_mv | [
{
"author": "Bohdana Belan",
"institution": "Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine "
},
{
"author": "Mykola Manyako",
"institution": "Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine"
},
{
"author": "Mariya Dzevenko",
"institution": "Department of Analytical Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine "
},
{
"author": "Dorota Kowalska",
"institution": "Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P. O. Box 1410, 50-950 Wrocław 2, Poland "
},
{
"author": "Roman Gladyshevskii",
"institution": "Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine "
}
] |
| author_sort | Belan, Bohdana |
| baseUrl_str | https://ucj.org.ua/index.php/journal/oai |
| collection | OJS |
| datestamp_date | 2026-07-22T08:23:43Z |
| description | The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-melting and its crystal structure was determined by the single-crystal X-ray diffraction. The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group P63/mmc (No. 194), a = 8.0985(16), c = 8.550(2) Å, Z = 2; R = 0.0244, wR = 0.0430 for 244 reflections. The silicide Lu3Ni11.74(2)Si4 is new member of the EuMg5.2-type structure family. |
| doi_str_mv | 10.33609/2708-129X.86.5.2020.3-12 |
| first_indexed | 2025-09-24T17:43:25Z |
| format | Article |
| fulltext |
НЕОРГАНІЧНА ХІМІЯ
ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5 3
UDC 548.736.4+546.669:546.747:546.28 doi: 10.33609/2708-129X.86.5.2020.3-12
B. Belan1*, M. Manyako1, M. Dzevenko1, D. Kowalska2, R. Gladyshevskii1
CRYSTAL STRUCTURE OF THE NEW SILICIDE Lu3Ni11.74(2)Si4
1 Ivan Franko National University of Lviv, Kyryla i Mefodiya St. 6, Lviv, 79005, Ukraine
2 Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P. O. Box
1410, Wrocław 2, 50-950, Poland
*е-mail: bohdanabelan@gmail.com
The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-
melting and its crystal structure was determined by the single-crystal X-ray diffraction.
The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group
P63/mmc (No. 194), a = 8.0985(16), c = 8.550(2) Å, Z = 2; R = 0.0244, wR = 0.0430 for
244 reflections. The silicide Lu3Ni11.74(2)Si4 is new member of the EuMg5.2-type structure
family.
K e y w o r d s: intermetallics, silicide, crystal structure, single-crystal X-ray diffraction.
INTRODUCTION. Recently, ternary
systems consisting of silicon with rare earth
and transition metals attracted much atten-
tion mainly due to the phases with various
crystals structures and interesting physical
properties. The majority of such systems
were studied only to identify isostructural
series of compounds, for example the ternary
system Lu-Ni-Si. The isothermal section of
this system have been yet constructed, but
during the exploration of it, the existence of
nine ternary compounds has been found
(Table 1) [1-3]. All known compounds in the
Lu-Ni-Si system form in the region up to
33.3 at. % Lu. However, the formation of the
greater number of ternary compounds should
be expected considering the results of inves-
tigations of the related ternary system. Thus,
recently the ternary compound
Dy3Ni11.83Si3.98 (Sc3Ni11Ge4-type, Pearson
symbol hP38, space group P63/mmc (No.
194), a = 8.1990(7), c = 8.6840(7) Å) [4] has
been found. This fact prompted us to search
for an isostructural compound in the Lu-Ni-
Si system. Our expectations were met and
new phase with a composition ~ Lu3Ni11Si4
was found.
Therefore, in the present paper we de-
scribe the results of the crystal structure in-
vestigation of the new rare-earth silicide us-
ing X-ray single-crystal diffraction data.
EXPERIMENT AND DISCUSSION OF
THE RESULTS. A sample of nominal com-
position Lu16.7Ni61.1Si22.2 was synthesized
from high-purity elements (Lu ≥ 99.9 wt.%,
Ni ≥ 99.999 wt.%, and Si ≥
© B. Belan, M. Manyako, M. Dzevenko, D. Kowalska, R. Gladyshevskii,2020
B. Belan, M. Manyako, M. Dzevenko, D. Kowalska, R. Gladyshevskii
4 ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5
Table 1
Crystallographic data of the ternary compounds in the system Lu-Ni-Si
Compound Stucture type Pearson
symbol
Space
group
Lattice parameters, Å Ref.
a b c
LuNi10Si2 Nd(Mn0.5Fe0.5)Fe8 tI26 I4/mmm 8.164 - 4.650 1, 2
LuNi5Si3 YNi5Si3 oP36 Pnma 18.49 3.739 6.710 1, 2
LuNi2Si2 CeAl2Ga2 tI10 I4/mmm 3.905 - 9.495 1, 2
LuNiSi3 SmNiGe3 oS20 Cmmm 3.8827 20.8179 3.89111 3
Lu3Ni6Si2 Ce3Ni6Si2 cI44 Im-3m 8.659 - - 1, 2
Lu2Ni3Si5 Lu2Co3Si5 mS40 C2/c 11.032 11.942 5.919 1, 2
β=120.18º 1, 2
LuNiSi2 CeNiSi2 oS16 Cmcm 3.851 15.810 3.851 1, 2
LuNiSi TiNiSi oP12 Pnma 6.67857 4.09340 7.11618 3
LuNi0.61Si1.39 AlB2 hP3 P6/mmm 3.94594 - 3.87276 3
99.999 wt.%) by arc-melting under a puri-
fied argon atmosphere, using Ti as a getter
and a tungsten electrode. The alloy was re-
melted two times to ensure homogeneity.
The ingot was annealed at 600°C in an evac-
uated quartz ampoule for 720 h and subse-
quently quenched in cold water. The weight
loss during the preparation of the sample
was less than 1 % of the total mass, which
was 2 g.
The single crystals were selected by
mechanical fragmentation from the sample.
Laue and rotation diffraction patterns of se-
lected single crystals showed hexagonal
symmetry with lattice parameters a ~ 8.2 and
c ~ 8.7 Å. Integrated intensities measured
with graphite-monochroma-tized Мо Kα ra-
diation on KM-CCD diffractometer con-
firmed the hexagonal lattice and the system-
atic extinctions were in agreement with the
space groups P63mc, P-62c, and P63/mmc.
The structure type Sc3Ni11Ge4 [5] was as-
signed and the structure was refined using
the program SHELXL (full-matrix least-
squares refinement on F2) [6] with aniso-
tropic displacement parameters for all of the
atoms.
The chemical composition of the select-
ed crystal was checked with a field-emission
scanning electron microscope (FEINovaNano
SEM 230) equipped with an EDS analyzer
(EDAX GenesisXM4). The experimentally
determined composition of the grain (19±2
at% La: 69±2 at% Ni: 12±2 at% Si) is rather
close to the composition calculated from the
structure refinements.
The crystallographic data and details of
the data collection from the single crystal of
new silicide are listed in the Table 2. The
reasonable values of the residual factors of
the structure reliability confirmed that these
compounds indeed adopt the Sc3Ni11Ge4-
type, which belongs to the EuMg5.2 family. A
final electron-density difference map was flat
and did not reveal any significant residual
peaks. The coordinates and displacement
parameters of the atoms are presented in Ta-
ble 3 and 4.
It should be noted, that structures relat-
ed to the EuMg5.2-type are characterized
Crystal structure of the new silicide Lu3Ni11.74(2)Si4
ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5 5
T a b l e 2
Experimental details and crystallographic data for the Lu3Ni11.74(2)Si4 compound
Refined composition Lu3Ni11.74(2)Si4
Mr, g/mole 2644.24
Structure type Sc3Ni11Ge4
Space group P63/mmc
Z; Pearson symbol 2; hP37.2
Unit-cell parameters, Å a = 8.0985(16), c = 8.550(2)
Cell volume, Å3 485.65(18)
Calculated density, g cm-3 9.041
Absorption coefficient μ, mm-1 52.609
F (000) 1191
θ range for data collection 2.90-29.76
Limiting indices
-11 ≤ h ≤ 10,
-11 ≤ k ≤ 10,
-8 ≤ l ≤ 11
Reflections collected / unique / with I > 2σ(I) 5249 / 291 / 244
Refined parameters 28
Extinction coefficient 0.00028(6)
R1 / wR2 for I > 2σ(I) 0.0244 / 0.0430
R1 / wR2 (all data) 0.0380 / 0.0455
Goodness-of-fit on F2 1.082
T a b l e 3
Atomic coordinates, equivalent displacement parameters and site occupancies for the
Lu3Ni11.74(2)Si4 compound
Atom Wyckoff
position Occupancy x y z Ueq, Å2
Lu 6h 1 0.18984(4) 0.37968(4) 1/4 0.00729(19)
Ni1 12k 1 0.16195(4) 0.32390(17) 0.58555(14) 0.0065(3)
Ni2 6h 1 0.56331(12) 0.1266(2) 1/4 0.0065(4)
Ni3 4f 1 1/3 2/3 0.0016(2) 0.0057(4)
Ni4 2b 0.735(15) 0 0 1/4 0.0156(17)
Si1 6g 1 1/2 0 0 0.0049(7)
Si2 2a 1 0 0 0 0.028(2)
by channels along the c direction, the occu-
pation of which varies from one structure to
another (sites 4e, 2b and 2a) and generally
presents some kind of disorder. Different
models of occupations were tested for the
investigated structure. The best result was
obtained for fully occupied site 2a by Si at-
oms and 2b partially occupied by Ni atoms.
B. Belan, M. Manyako, M. Dzevenko, D. Kowalska, R. Gladyshevskii
6 ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5
These positions are partially occupied by Ge
atoms in the structure of the prototype
Sc3Ni11Ge4. Hence, the partial occupation of
the 2b site and full occupations of all other
sites in the structure of our silicide lead to
the refined composition Lu3Ni11.74(2)Si4 for
the investigated crystal.
Interatomic distances (δ), reduced values of
interatomic distances (∆ = 100(δ − ∑r)/∑r,
where ∑r is the sum of the respective atomic
radii), and coordination numbers (CN) of the
atoms for Lu3Ni11.74(2)Si4 are listed in Table 5
(values of the atomic radii are taken from
[7]:
T a b l e 4
Anisotropic displacement parameters (Å2) for the Lu3Ni11.7Si4 compound
Atom U11 U22 U33 U12 U13 U23
Lu 0.0064(2) 0.0117(3) 0.0056(3) 0 0 0.00585(17)
Ni1 0.0058(5) 0.0063(6) 0.0075(5) 0.0007(4) 0.0003(2) 0.0032(3)
Ni2 0.0067(6) 0.0058(9) 0.0068(8) 0 0 0.0029(4)
Ni3 0.0048(6) 0.0048(6) 0.0074(10) 0 0 0.0024(3)
Ni4 0.0088(18) 0.0088(18) 0.029(3) 0 0 0.0044(9)
Si1 0.0041(12) 0.0041(17) 0.0065(18) 0.0023(12) 0.0011(6) 0.0020(9)
Si2 0.006(2) 0.006(2) 0.071(6) 0 0 0.0030(11)
T a b l e 5
Interatomic distances (d, Å), Δ values (Δ = 100(d-Σr)/Σr, where Σr is the sum of the respective
atomic radii [11]) and atomic coordination numbers (CN) for the Lu3Ni11.74(2)Si4 compound
Atom d (Å) Δ (%) Atom d (Å) Δ (%)
Lu 1 Ni4 2.6629(8) -10.5 Ni3 2 Si1 2.3376(5) -3.0
CN = 19 1 Ni2 2.8220(13) -5.1 CN = 12 1 Si1 2.3383(3) -3.0
1 Ni2 2.8221(16) -5.1 1 Ni1 2.5164(14) 1.5
4 Ni1 2.8599(15) -3.8 2 Ni1 2.5171(14) 1.5
2 Ni1 2.8955(14) -2.6 2 Ni2 2.5941(17) 4.6
2 Ni3 2.9262(14) -1.6 1 Ni2 2.5945(17) 4.6
4 Si1 3.0627(5) 5.5 1 Lu 2.9258(14) -1.6
2 Si2 3.4147(7) 17.6 2 Lu 2.9262(13) -1.6
2 Lu 3.4862(7) 0.5 Ni4 2 Si2 2.1375(5) -11.3
Ni1 1 Si2 2.3865(13) -1.0 CN = 11 3 Lu 2.6629(7) -10.5
CN = 13 2 Si1 2.4818(14) 3.0 6 Ni1 2.6716(9) -1.0
1 Ni3 2.5171(14) 1.5 Si1 2 Ni2 2.3146(7) -4.0
1 Ni2 2.5244(20) 1.8 CN = 12 2 Ni3 2.3376(5) -3.0
1 Ni2 2.5245(12) 1.8 4 Ni1 2.4818(14) 3.0
1 Ni4 2.6716(13) 7.7 4 Lu 3.0627(6) 5.5
2 Ni1 2.7020(12) 9.0 Si2 2 Ni4 2.1375(5) -11.3
1 Ni1 2.8121(18) 13.4 CN = 14 6 Ni1 2.3865(8) -1.0
2 Lu 2.8599(14) -3.8 6 Lu 3.4147(7) 17.6
Crystal structure of the new silicide Lu3Ni11.74(2)Si4
ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5 7
End of the Table 5
Atom d (Å) Δ (%) Atom d (Å) Δ (%)
1 Lu 2.8955(14) -2.6 CN = 12 2 Ni1 2.5245(16) 1.8
Ni2 2 Si1 2.3146(7) -4.0 2 Ni3 2.5941(17) 4.6
CN = 12 2 Ni2 2.5113(24) 1.3 1 Lu 2.8220(19) -5.1
2 Ni1 2.5244(14) 1.8 1 Lu 2.8221(10) -5.1
r(Lu) = 1.734 Å, r(Ni) = 1.246 Å, r(Si) =
1.170 Å). Most of the interatomic distances
are in good agreement with the atomic sizes.
The interatomic distances between Lu-Si2
and Ni1-Ni1 are somewhat larger in compar-
ison with the sum of the respective atomic
radii. The largest decrease of interatomic
distances is observed between Ni4 and Lu or
Si2 atoms. It does not exceed 12 % of the
sum of the atomic radii of respective atoms.
Moreover, within Lu3Ni11.74(2)Si4 structure
the silicon atoms are not in contact with each
other.
The projection of the unit cell of
Lu3Ni11.74(2)Si4 compound and the coordina-
tion polyhedrons (CP) of atoms are shown in
Fig. 1. CP are similar to corresponding poly-
hedrons of atoms in the Sc3Ni11Ge4 structure
[5] and typical for the most of the ternary
compounds in the RE-Ni-Si systems. The
lutetium atoms have the largest coordination
number (CN = 19) and its polyhedron
[Lu(Lu2Ni11Si6)] can be described as pen-
tagonal prisms with seven capping atoms. A
distorted icosahedron with one additional
atom [Ni1(Lu3Ni7Si3)] is the CP of the Ni1
atoms (CN = 13). The coordination polyhe-
drons of the Ni2 and Ni3 atoms (CN = 12 for
both) are similar and can be described as
distorted icosahedrons, [Ni2(Lu2Ni8Si2)] and
[Ni3(Lu3Ni6Si3)], respectively. A trigonal
prism [Ni4(Lu3Ni6Si2)] with lateral sides and
bases capped by additional atoms is the co-
ordination polyhedron of the Ni4 atom (CN
= 11). Only lutetium and nickel atoms form
the coordination polyhedrons of the Si1 and
Si2 atoms. The Si1 atoms have 12 neighbors
and the polyhedron [Si1(Lu4Ni8)] can be
described as a distorted icosahedron. A dis-
torted rhombicdo-decahedron is the CP of
Si2 atoms [Si2(Lu6Ni8)] (CN = 14).
The Lu3Ni11.74(2)Si4 structure can be
considered as a packing of the Si1 polyhe-
drons [Si1(Lu4Ni8)] (Fig. 2). Such polyhe-
drons are connected to each other by com-
Fig. 1. The unit cell of the Lu3Ni11.74(2)Si4 struc-
ture and coordination polyhedrons of the atoms.
The site symmetries are indicated.
B. Belan, M. Manyako, M. Dzevenko, D. Kowalska, R. Gladyshevskii
8 ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5
mon triangular faces and form column along
the c direction with small holes between ad-
jacent columns of icosahedrons from one
unit cell. The columns from the neighboring
unit cells, in turn, are combined into a net-
Fig. 2. The arrangement of the Si1 polyhedrons
in the Lu3Ni11.74(2)Si4 structure.
work with twisted triangular cylinder, in the
center of which the nickel and silicon atoms
with coordination (0 0 z) are situated.
Alternatively, the structure of EuMg5.2
type can be considered as a packing of clus-
ters [Mg17], which are dimers of face-sharing
hypho-icosahedra with 14 vertices (Fig. 3)
[8]. These dimers connect by common Mg
atoms into the zigzag chain along c direc-
tion. The triangle from Eu atoms are located
between the “links” of this chain. The space
between zigzag chains are occupied by the
linear chains from the Mg atoms. The simi-
lar units can be seen in the structure of
Sc3Ni11Ge4,-type as well as Lu3Ni11.74(2)Si4
compound. The clusters of the first one are
built from 11 Ni atoms and 6 Ge atoms, and
11 Ni atoms and 6 Si atoms form the clusters
in the structure of our compound. The trian-
gle from the Sc atoms in case of Sc3Ni11Ge4
and the Lu atoms in case of Lu3Ni11.74(2)Si4
are instead of triangle from the Eu atoms.
The only difference in these two compounds
are in the linear chains. In the structure of
Lu3Ni11.74(2)Si4 the Ni and Si atoms from
such chain, while the atoms of only one type
form the chain in the case of Sc3Ni11Ge4 and
EuMg5.2. The difference in the occupation of
channels along the c direction is as well ob-
served in other related structures, for exam-
ple, in the Sc3Ni11Si4-type, which is realized
in the ternary systems R-Cu-Si (R = Y, Gd-
Lu) or in the Gd3Ru4Al12-type. The latter one
has four representatives among ternary sili-
cides of nickel and rare-earth metals
R3Ni12Si4 (R = Gd, Ho, Er, Tm) [9, 10]. The
Table 6 summarizes the data for the related
structure types with space group P63/mmc
that belong to the family of the structure
type EuMg5.2.
Crystal structure of the new silicide Lu3Ni11.74(2)Si4
ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5 9
Fig. 3. The arrangement of the clusters in the EuMg5.2, Sc3Ni11Ge4 and Lu3Ni11.74(2)Si4 structures.
T a b l e 6
Atom distribution in related structure types with space group P63/mmc.
Structure type Unit-cell
parameters, Å
Wyckoff position Refs
6h
(x 2x 1/4)
12k
(x 2x z)
6h
(x 2x 1/4)
6g
(1/2 0 0)
4f
(1/3 2/3 z)
4e
(0 0 z)
2b
(0 0 1/4)
2a
(0 0 0)
EuMg5.2
a = 10.395; c
= 10.746 Eu Mg Mg Mg Mg Mg0.26 Mg0.77 Mg0.40 11
ErZn5
a = 5.276; c =
4.233 Er Zn Zn Zn Zn - - Zn 12
Sc3Cu7.5Al7.5
a = 8.485; c =
8.859 Sc Al0.55Cu0.45 Al0.56Cu0.44 Cu0.74Al0.26 Al0.86Cu0.14 - Cu0.61 Cu0.389 13
Gd3Ru4Al12
a = 8.814; c =
9.569 Gd Al Al0.96Ru0.04 Ru Al - Al Ru 14
Ce3Ag4.7Mg11.3
a = 9.809; c =
10.448 Ce Mg0.94Ag1.06 Mg0.89Ag0.12 Ag0.97Mg0.03 Mg0.95Ag0.05 - Mg0.95Ag0.05 Ag 15
Sc3Ni11Si4
a = 8.024; c =
8.429 Sc Ni Ni Si Ni - Si - 16
Sc3Ni11Ge4
a = 8.130; c =
8.505 Sc Ni Ni Ge Ni - Ge0.72 Ge0.28 5
Dy3Ni11.83Si4
a = 8.199; c =
8.684 Dy Ni Ni Si Ni - Ni0.828 Si0.985 4
Lu3Ni11.74Si4
a = 8.099; c =
8.550 Lu Ni Ni Si Ni - Ni0.74 Si
* this work
B. Belan, M. Manyako, M. Dzevenko, D. Kowalska, R. Gladyshevskii
10 ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5
CONCLUSIONS. The new silicide
Lu3Ni11.74(2)Si4 has been synthesized and its
structure has been investigated using single-
crystal X-ray diffraction. The compound
crystallizes in the Sc3Ni11Ge4 structure type
which belongs to the large family of struc-
tures related to the EuMg5.2 type. The struc-
tural feature of Lu3Ni11.74(2)Si4 compound is
the partially occupied nickel position which
leads to deviation of the composition of the
compound from the composition of the
structural type.
КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА
НОВОГО СИЛИЦИДА Lu3Ni11,74(2)Si4
Б. Белан1*, М. Маняко1, М. Дзевенко1, Д. Ко-
вальска2, Р. Гладышевский1
1 Львовский Национальный университет
имени Ивана Франко, ул. Кирила и Мефодия
6, Львов, 79005, Украина
2 Институт низкотемпературных и струк-
турных исследований, Польская академия
наук, П. О. Бокс 1410, Вроцлав 2, 50-950,
Польша
*е-mail: bohdanabelan@gmail.com
Методом электро-дуговой плавки син-
тезировано новый тернарный силицид
Lu3Ni11,74(2)Si4. Кристаллическую структуру
исследовано методом монокристальной рент-
геновской дифракции. Соединение кристал-
лизируется в структурном типе Sc3Ni11Ge4:
символ Пирсона hP37.2, пространственная
группа P63/mmc (№ 194), a = 8,0985(16), c =
8,550(2) Å, Z = 2; R = 0,0244, wR = 0,0430 для
244 рефлексов. Атомы в исследованом со-
единении имеют следующие координацион-
ные числа: 19 для лютеция, 11-1для никеля, и
12, 14 для кремния.
К л ю ч е в ы е с л о в а: интерметаллиды,
силицид, кристаллическая структура, моно-
кристальные рентгеновские исследования.
КРИСТАЛІЧНА СТРУКТУРА НОВОГО
СИЛИЦИДУ Lu3Ni11,74(2)Si4
Б. Белан1*, М. Маняко1, М. Дзевенко1, Д. Ко-
вальска2, Р. Гладишевський1
1 Львівський національний університет імені
Івана Франка, вул. Кирила і Мефодія, 6,
79005 Львів, Україна
2 Інститут низькотемпературних і струк-
турних досліджень, Польська академія наук,
П. О. Бокс 1410, Вроцлав 2, 50-950, Польща
*е-mail: bohdanabelan@gmail.com
Методом електродугового плавлення
синтезовано новий тернарний силіцид
Lu3Ni11,74(2)Si4. Кристалічну структуру дослі-
джено методом монокристальної рентгенів-
ської дифракції. Сполука кристалізується в
структурному типі Sc3Ni11Ge4: символ Пірсо-
на hP37.2, просторова група P63/mmc (№
194), a = 8,0985(16), c = 8,550(2) Å, Z = 2; R =
0,0244, wR = 0,0430 для 244 рефлексів. Новий
силіцид характеризується частковим запов-
ненням кристалографічного положення 2b,
яке у структурі прототипу Sc3Ni11Ge4 частко-
во заповнено атомами германію. Міжатомні
віддалі добре узгоджуються з сумою радіусів
відповідних атомів. Атоми в дослідженій
сполуці мають такі координаційні числа: 19 у
лютецію, 11-1 у нікелю, та 12, 14 у кремнію.
Координаційні многогранники є характерни-
ми для сполук такого типу. Атоми лютецію
центрують пентагоналльну призму з сімома
додатковими атомами. Атоми Ni1, Ni2 та Ni3
мають координаційні поліедри у вигляді спо-
творених ікосаедрів. Атом Ni4 центрує три-
гональну призму з п’ятьома додатковими
атомами. До координаційної сфери атомів
силіцію входять виключно атоми лютецію та
нікелю, а координаційні поліедри мають фо-
Crystal structure of the new silicide Lu3Ni11.74(2)Si4
ISSN 2708-129X. УКР . ХІМ . ЖУРН ., 2020, т . 86, No 5 11
рму спотвореного ікосаедра у випадку атомів
Si1, та спотвореного ромбічного додекаедру
– у Si2.
К л ю ч о в і с л о в а: інтерметаліди силіцид,
кристалічна структура, монокристальні рент-
генівські дослідження.
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Надійшла 10.05.2020
https://doi.org/10.1016/j.solidstate
T a b l e 2
Experimental details and crystallographic data for the Lu3Ni11.74(2)Si4 compound
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| id | oai:ojs2.1444248.nisspano.web.hosting-test.net:article-167 |
| institution | Ukrainian Chemistry Journal |
| keywords_txt_mv | keywords |
| language | English |
| last_indexed | 2026-07-23T01:02:19Z |
| publishDate | 2020 |
| publisher | V.I.Vernadsky Institute of General and Inorganic Chemistry |
| record_format | ojs |
| resource_txt_mv | ucjorgua/e2/02a8a1fe863e94643b8e2530da6428e2.pdf |
| spelling | oai:ojs2.1444248.nisspano.web.hosting-test.net:article-1672026-07-22T08:23:43Z CRYSTAL STRUCTURE OF THE NEW SILICIDE Lu3Ni11.74(2)Si4 КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА НОВОГО СИЛИЦИДА Lu3Ni11,74(2)Si4 КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 Belan, Bohdana Manyako, Mykola Dzevenko, Mariya Kowalska, Dorota Gladyshevskii, Roman intermetallics, silicide, crystal structure, single-crystal X-ray diffraction. : интерметаллиды, силицид, кристаллическая структура, монокристальные рентгеновские исследования. інтерметаліди силіцид, кристалічна структура, монокристальні рентгенівські дослідження. The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-melting and its crystal structure was determined by the single-crystal X-ray diffraction. The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group P63/mmc (No. 194), a = 8.0985(16), c = 8.550(2) Å, Z = 2; R = 0.0244, wR = 0.0430 for 244 reflections. The silicide Lu3Ni11.74(2)Si4 is new member of the EuMg5.2-type structure family. V.I.Vernadsky Institute of General and Inorganic Chemistry 2020-07-15 Article Article Inorganic Chemistry Неорганическая химия Неорганічна хімія application/pdf https://ucj.org.ua/index.php/journal/article/view/167 10.33609/2708-129X.86.5.2020.3-12 Ukrainian Chemistry Journal; Vol. 86 No. 5 (2020): Ukrainian Chemistry Journal; 3-12 Украинский химический журнал; ##issue.vol## 86 ##issue.no## 5 (2020): Украинский химический журнал; 3-12 Український хімічний журнал; Том 86 № 5 (2020): Український хімічний журнал; 3-12 2708-129X 2708-1281 en https://ucj.org.ua/index.php/journal/article/view/167/96 Copyright (c) 2020 Bohdana Belan, Mykola Manyako, Mariya Dzevenko, Dorota Kowalska, Roman Gladyshevskii https://creativecommons.org/licenses/by-nc/4.0 |
| spellingShingle | інтерметаліди силіцид кристалічна структура монокристальні рентгенівські дослідження. Belan, Bohdana Manyako, Mykola Dzevenko, Mariya Kowalska, Dorota Gladyshevskii, Roman КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title | КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title_alt | CRYSTAL STRUCTURE OF THE NEW SILICIDE Lu3Ni11.74(2)Si4 КРИСТАЛЛИЧЕСКАЯ СТРУКТУРА НОВОГО СИЛИЦИДА Lu3Ni11,74(2)Si4 |
| title_full | КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title_fullStr | КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title_full_unstemmed | КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title_short | КРИСТАЛІЧНА СТРУКТУРА НОВОГО СИЛИЦИДУ Lu3Ni11,74(2)Si4 |
| title_sort | кристалічна структура нового силициду lu3ni11,74(2)si4 |
| topic | інтерметаліди силіцид кристалічна структура монокристальні рентгенівські дослідження. |
| topic_facet | intermetallics silicide crystal structure single-crystal X-ray diffraction. : интерметаллиды силицид кристаллическая структура монокристальные рентгеновские исследования. інтерметаліди силіцид кристалічна структура монокристальні рентгенівські дослідження. |
| url | https://ucj.org.ua/index.php/journal/article/view/167 |
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