cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1700749
title: Materials Data on Tb(Fe5Mo)2 by Materials Project

description: Tb(MoFe5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Fe atoms. Both Tb–Mo bond lengths are 3.07 Å. There are a spread of Tb–Fe bond distances ranging from 3.02–3.26 Å. Mo is bonded in a 10-coordinate geometry to one Tb, one Mo, and twelve Fe atoms. The Mo–Mo bond length is 2.47 Å. There are a spread of Mo–Fe bond distances ranging from 2.61–2.93 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, two equivalent Mo, and eight Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2Fe8Mo2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.62 Å. In the second Fe site, Fe is bonded to two equivalent Tb, two equivalent Mo, and eight Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeTb2Fe8Mo2 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.70 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, two equivalent Mo, and eight Fe atoms. Both Fe–Fe bond lengths are 2.66 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Tb, four equivalent Mo, and nine Fe atoms. The Fe–Fe bond length is 2.43 Å.
DOI: 10.17188/1700750
title: Materials Data on BH17C6NCl by Materials Project

description: CH3BC5NH14Cl crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two methane molecules and two BC5NH14Cl clusters. In each BC5NH14Cl cluster, B3+ is bonded in a tetrahedral geometry to one N3-, two H1+, and one Cl1- atom. The B–N bond length is 1.64 Å. Both B–H bond lengths are 1.21 Å. The B–Cl bond length is 1.89 Å. There are five inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a trigonal non-coplanar geometry to one C+2.67- and three H1+ atoms. The C–C bond length is 1.52 Å. All C–H bond lengths are 1.10 Å. In the second C+2.67- site, C+2.67- is bonded in a 4-coordinate geometry to one C+2.67-, one N3-, and two H1+ atoms. The C–N bond length is 1.51 Å. Both C–H bond lengths are 1.10 Å. In the third C+2.67- site, C+2.67- is bonded in a 4-coordinate geometry to one N3- and two H1+ atoms. The C–N bond length is 1.51 Å. Both C–H bond lengths are 1.10 Å. In the fourth C+2.67- site, C+2.67- is bonded in a trigonal non-coplanar geometry to one C+2.67- and three H1+ atoms. The C–C bond length is 1.52 Å. All C–H bond lengths are 1.10 Å. In the fifth C+2.67- site, C+2.67- is bonded in a 4-coordinate geometry to one C+2.67-, one N3-, and two H1+ atoms. The C–N bond length is 1.52 Å. Both C–H bond lengths are 1.10 Å. N3- is bonded in a tetrahedral geometry to one B3+ and three C+2.67- atoms. There are fourteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.67- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one B3+ atom. Cl1- is bonded in a single-bond geometry to one B3+ atom.
DOI: 10.17188/1700751
title: Materials Data on Tb6CoBr10 by Materials Project

description: Tb6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Tb–Co bond length is 2.60 Å. There are a spread of Tb–Br bond distances ranging from 2.85–3.12 Å. In the second Tb site, Tb is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Tb–Co bond length is 2.62 Å. There are a spread of Tb–Br bond distances ranging from 2.90–3.15 Å. In the third Tb site, Tb is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. The Tb–Co bond length is 2.68 Å. There are a spread of Tb–Br bond distances ranging from 2.81–3.11 Å. Co is bonded in an octahedral geometry to six Tb atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a see-saw-like geometry to four Tb atoms. In the second Br site, Br is bonded in a T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a T-shaped geometry to three Tb atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two Tb atoms. In the fifth Br site, Br is bonded in a 3-coordinate geometry to three Tb atoms.
DOI: 10.17188/1700752
title: Materials Data on Hf20Si12B by Materials Project

description: Hf20BSi12 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six Si atoms. There are four shorter (2.80 Å) and two longer (2.81 Å) Hf–Si bond lengths. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six Si atoms. All Hf–Si bond lengths are 2.80 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Hf–Si bond distances ranging from 2.78–2.82 Å. In the fourth Hf site, Hf is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Hf–Si bond distances ranging from 2.79–2.81 Å. In the fifth Hf site, Hf is bonded in a 6-coordinate geometry to one B and five Si atoms. The Hf–B bond length is 2.38 Å. There are a spread of Hf–Si bond distances ranging from 2.73–3.02 Å. In the sixth Hf site, Hf is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Hf–Si bond distances ranging from 2.71–2.99 Å. In the seventh Hf site, Hf is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Hf–Si bond distances ranging from 2.71–2.98 Å. In the eighth Hf site, Hf is bonded in a 6-coordinate geometry to one B and five Si atoms. The Hf–B bond length is 2.39 Å. There are a spread of Hf–Si bond distances ranging from 2.73–3.03 Å. B is bonded in an octahedral geometry to six Hf atoms. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Hf atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Hf atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Hf atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to nine Hf atoms.
DOI: 10.17188/1700753
title: Materials Data on Na2V2ZnO7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1700754
title: Materials Data on ClO by Materials Project

description: ClO is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one hydrochloric acid molecule and one water molecule.
DOI: 10.17188/1700755
title: Materials Data on Ta3(CuS3)2 by Materials Project

description: Ta3(CuS3)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with six CuS4 trigonal pyramids, edges with six TaS6 pentagonal pyramids, and a faceface with one CuS4 trigonal pyramid. There are a spread of Ta–S bond distances ranging from 2.45–2.54 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with seven CuS4 trigonal pyramids and edges with six TaS6 pentagonal pyramids. There are a spread of Ta–S bond distances ranging from 2.47–2.50 Å. In the third Ta+3.33+ site, Ta+3.33+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share corners with five CuS4 trigonal pyramids, edges with six TaS6 pentagonal pyramids, and a faceface with one CuS4 trigonal pyramid. There are a spread of Ta–S bond distances ranging from 2.47–2.54 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four S2- atoms to form distorted CuS4 trigonal pyramids that share corners with nine TaS6 pentagonal pyramids, corners with two equivalent CuS4 trigonal pyramids, and a faceface with one TaS6 pentagonal pyramid. There are a spread of Cu–S bond distances ranging from 2.23–2.33 Å. In the second Cu1+ site, Cu1+ is bonded to four S2- atoms to form distorted CuS4 trigonal pyramids that share corners with nine TaS6 pentagonal pyramids, corners with two equivalent CuS4 trigonal pyramids, and a faceface with one TaS6 pentagonal pyramid. There are a spread of Cu–S bond distances ranging from 2.23–2.32 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent Cu1+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ta+3.33+ and one Cu1+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ta+3.33+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Ta+3.33+ and one Cu1+ atom. In the fifth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ta+3.33+ and one Cu1+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent Cu1+ atoms.
DOI: 10.17188/1700756
title: Materials Data on CoH by Materials Project

description: CoH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co1+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing CoH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Co–H bond lengths are 1.85 Å. H1- is bonded to six equivalent Co1+ atoms to form a mixture of edge and corner-sharing HCo6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1700757
title: Materials Data on Na5LiN2 by Materials Project

description: Na5LiN2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.40 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.48 Å) and one longer (2.53 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.35 Å. In the fourth Na1+ site, Na1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.37 Å. Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.95 Å. N3- is bonded to five Na1+ and one Li1+ atom to form distorted corner-sharing NNa5Li octahedra. The corner-sharing octahedra tilt angles range from 4–40°.
DOI: 10.17188/1700758
title: Materials Data on SmB4(IrOs)2 by Materials Project

description: SmB4(OsIr)2 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2 space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to six B+1.50- atoms. There are a spread of Sm–B bond distances ranging from 2.90–3.08 Å. Os2- is bonded in a 4-coordinate geometry to five B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.13–2.78 Å. Ir+3.50+ is bonded in a 4-coordinate geometry to four B+1.50- atoms. There are a spread of Ir–B bond distances ranging from 2.13–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 5-coordinate geometry to two equivalent Sm3+, four equivalent Os2-, one Ir+3.50+, and one B+1.50- atom. The B–B bond length is 1.81 Å. In the second B+1.50- site, B+1.50- is bonded in a 6-coordinate geometry to one Sm3+, one Os2-, three equivalent Ir+3.50+, and one B+1.50- atom.
DOI: 10.17188/1700759
title: Materials Data on LaBeCu12 by Materials Project

description: BeLaCu12 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Be is bonded in a cuboctahedral geometry to twelve equivalent Cu atoms. All Be–Cu bond lengths are 2.41 Å. La is bonded in a 1-coordinate geometry to twenty-four equivalent Cu atoms. All La–Cu bond lengths are 3.36 Å. Cu is bonded in a 1-coordinate geometry to one Be, two equivalent La, and nine equivalent Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.49–2.64 Å.
DOI: 10.17188/1700760
title: Materials Data on Ac3Cd by Materials Project

description: Ac3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Cd atoms to form distorted AcAc8Cd4 cuboctahedra that share corners with twelve equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with ten equivalent AcAc8Cd4 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.85 Å) Ac–Ac bond lengths. All Ac–Cd bond lengths are 3.85 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Cd atoms. All Ac–Cd bond lengths are 3.71 Å. Cd is bonded to twelve Ac atoms to form CdAc12 cuboctahedra that share corners with four equivalent CdAc12 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, edges with sixteen equivalent AcAc8Cd4 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with eight equivalent AcAc8Cd4 cuboctahedra.
DOI: 10.17188/1700761
title: Materials Data on BrN by Materials Project

description: BrN is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. N1+ is bonded in a body-centered cubic geometry to eight equivalent Br1- atoms. All N–Br bond lengths are 2.64 Å. Br1- is bonded in a body-centered cubic geometry to eight equivalent N1+ atoms.
DOI: 10.17188/1700762
title: Materials Data on Pr2S3O20 by Materials Project

description: Pr2S3O20 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Pr2S3O20 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.68 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.30–3.11 Å. There are three inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.43–1.86 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the third S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Pr and one S atom. In the fourth O site, O is bonded in a distorted linear geometry to one Pr and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one S atom. In the eighth O site, O is bonded in a linear geometry to one Pr and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a 1-coordinate geometry to one Pr and one S atom. In the eleventh O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one S atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to one S and one O atom. The O–O bond length is 1.31 Å. In the thirteenth O site, O is bonded in a water-like geometry to one Pr and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one O atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Pr atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to one Pr and one O atom. In the seventeenth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.23 Å. In the eighteenth O site, O is bonded in a single-bond geometry to one Pr atom. In the nineteenth O site, O is bonded in a single-bond geometry to one Pr atom. In the twentieth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1700763
title: Materials Data on Sr4LaCl11 by Materials Project

description: Sr4LaCl11 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.00–3.69 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.03 Å) and four longer (3.04 Å) Sr–Cl bond lengths. La3+ is bonded to twelve Cl1- atoms to form distorted LaCl12 cuboctahedra that share corners with four equivalent LaCl12 cuboctahedra, corners with sixteen equivalent ClSr2La2Cl2 tetrahedra, edges with eight equivalent ClSr2La2Cl2 tetrahedra, and faces with four equivalent LaCl12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.48 Å) La–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Sr2+ atoms to form a mixture of corner and edge-sharing ClSr4 tetrahedra. In the second Cl1- site, Cl1- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing ClSr4 tetrahedra. In the third Cl1- site, Cl1- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cl1- atoms to form distorted ClSr2La2Cl2 tetrahedra that share corners with four equivalent LaCl12 cuboctahedra, corners with twelve ClSr4 tetrahedra, edges with two equivalent LaCl12 cuboctahedra, edges with seven ClSr4 tetrahedra, and faces with five equivalent ClSr2La2Cl2 tetrahedra. Both Cl–Cl bond lengths are 3.16 Å. In the fourth Cl1- site, Cl1- is bonded in a 12-coordinate geometry to two equivalent Sr2+, four equivalent La3+, and eight equivalent Cl1- atoms.
DOI: 10.17188/1700764
title: Materials Data on H6CSN2O by Materials Project

description: CN2H4SH2O is Khatyrkite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four thiourea molecules and four water molecules.
DOI: 10.17188/1700765
title: Materials Data on Ta3Co8Si by Materials Project

description: Ta3Co8Si crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 9-coordinate geometry to one Ta, twelve Co, and three equivalent Si atoms. The Ta–Ta bond length is 2.86 Å. There are a spread of Ta–Co bond distances ranging from 2.72–2.79 Å. All Ta–Si bond lengths are 2.84 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to four Ta and twelve Co atoms. All Ta–Ta bond lengths are 3.01 Å. There are a spread of Ta–Co bond distances ranging from 2.75–2.81 Å. In the third Ta site, Ta is bonded in a 10-coordinate geometry to three equivalent Ta, twelve Co, and one Si atom. There are a spread of Ta–Co bond distances ranging from 2.66–2.96 Å. The Ta–Si bond length is 2.81 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ta, six Co, and three equivalent Si atoms to form CoTa3Co6Si3 cuboctahedra that share corners with twelve CoTa4Co6Si2 cuboctahedra, edges with six equivalent CoTa3Co6Si3 cuboctahedra, and faces with twenty CoTa6Co6 cuboctahedra. There are three shorter (2.35 Å) and three longer (2.37 Å) Co–Co bond lengths. All Co–Si bond lengths are 2.75 Å. In the second Co site, Co is bonded to six Ta and six Co atoms to form CoTa6Co6 cuboctahedra that share corners with twelve CoTa4Co6Si2 cuboctahedra, edges with six equivalent CoTa6Co6 cuboctahedra, and faces with twenty CoTa3Co6Si3 cuboctahedra. There are three shorter (2.36 Å) and three longer (2.39 Å) Co–Co bond lengths. In the third Co site, Co is bonded to four Ta, six Co, and two equivalent Si atoms to form distorted CoTa4Co6Si2 cuboctahedra that share corners with eighteen CoTa3Co6Si3 cuboctahedra, edges with six CoTa5Co6Si cuboctahedra, and faces with eighteen CoTa3Co6Si3 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.39 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.86 Å. In the fourth Co site, Co is bonded to five Ta, six Co, and one Si atom to form CoTa5Co6Si cuboctahedra that share corners with eighteen CoTa3Co6Si3 cuboctahedra, edges with six CoTa5Co6Si cuboctahedra, and faces with eighteen CoTa3Co6Si3 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.40 Å) Co–Co bond lengths. The Co–Si bond length is 2.60 Å. Si is bonded in a 4-coordinate geometry to four Ta and twelve Co atoms.