cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1728075
title: Materials Data on GdHfF7 by Materials Project

description: GdHfF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Gd–F bond distances ranging from 2.23–2.40 Å. Hf4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Hf–F bond distances ranging from 2.00–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Gd3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Gd3+ and one Hf4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Gd3+ and one Hf4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Hf4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Gd3+ and one Hf4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Hf4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Gd3+ and one Hf4+ atom.
DOI: 10.17188/1728076
title: Materials Data on ZrNiF6 by Materials Project

description: ZrNiF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–F bond lengths are 2.02 Å. F1- is bonded in a linear geometry to one Zr4+ and one Ni2+ atom.
DOI: 10.17188/1728077
title: Materials Data on GdAu3C6(N2O)3 by Materials Project

description: GdAu3C6(N2O)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to six equivalent N3- and three equivalent O2- atoms. All Gd–N bond lengths are 2.48 Å. All Gd–O bond lengths are 2.42 Å. Au1- is bonded in a linear geometry to two equivalent C4+ atoms. Both Au–C bond lengths are 2.00 Å. C4+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a 2-coordinate geometry to one Gd3+ and one C4+ atom. O2- is bonded in a distorted single-bond geometry to one Gd3+ atom.
DOI: 10.17188/1728078
title: Materials Data on V10Si6B by Materials Project

description: V10BSi6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent V+2.10+ sites. In the first V+2.10+ site, V+2.10+ is bonded in a 6-coordinate geometry to one B3+ and five equivalent Si4- atoms. The V–B bond length is 2.14 Å. There are a spread of V–Si bond distances ranging from 2.48–2.68 Å. In the second V+2.10+ site, V+2.10+ is bonded in a 8-coordinate geometry to two equivalent V+2.10+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.43 Å. All V–Si bond lengths are 2.51 Å. In the third V+2.10+ site, V+2.10+ is bonded in a 8-coordinate geometry to two equivalent V+2.10+ and six equivalent Si4- atoms. All V–Si bond lengths are 2.50 Å. B3+ is bonded in a 6-coordinate geometry to six equivalent V+2.10+ atoms. Si4- is bonded in a 9-coordinate geometry to nine V+2.10+ atoms.
DOI: 10.17188/1728079
title: Materials Data on La2CuGe by Materials Project

description: La2CuGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two La2CuGe ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to one Cu and one Ge atom. The La–Cu bond length is 2.64 Å. The La–Ge bond length is 2.71 Å. Cu is bonded in a linear geometry to two equivalent La atoms. Ge is bonded in a linear geometry to two equivalent La atoms.
DOI: 10.17188/1728080
title: Materials Data on Li6V3P8O29 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: 10.17188/1728081
title: Materials Data on CeAsRh by Materials Project

description: CeRhAs is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded to six equivalent Rh and six equivalent As atoms to form a mixture of edge and face-sharing CeAs6Rh6 cuboctahedra. There are a spread of Ce–Rh bond distances ranging from 3.12–3.14 Å. All Ce–As bond lengths are 3.13 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent As atoms. All Rh–As bond lengths are 2.49 Å. As is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Rh atoms.
DOI: 10.17188/1728082
title: Materials Data on CrRu by Materials Project

description: CrRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cr is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted CrCr6Ru6 cuboctahedra that share corners with eighteen equivalent CrCr6Ru6 cuboctahedra, edges with six equivalent CrCr6Ru6 cuboctahedra, edges with twelve equivalent RuCr6Ru6 cuboctahedra, faces with eight equivalent CrCr6Ru6 cuboctahedra, and faces with twelve equivalent RuCr6Ru6 cuboctahedra. All Cr–Cr bond lengths are 2.66 Å. All Cr–Ru bond lengths are 2.61 Å. Ru is bonded to six equivalent Cr and six equivalent Ru atoms to form distorted RuCr6Ru6 cuboctahedra that share corners with eighteen equivalent RuCr6Ru6 cuboctahedra, edges with six equivalent RuCr6Ru6 cuboctahedra, edges with twelve equivalent CrCr6Ru6 cuboctahedra, faces with eight equivalent RuCr6Ru6 cuboctahedra, and faces with twelve equivalent CrCr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.66 Å.
DOI: 10.17188/1728083
title: Materials Data on LuTiFe11C by Materials Project

description: LuTiFe11C crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Lu is bonded in a distorted linear geometry to one Ti, ten Fe, and two equivalent C atoms. The Lu–Ti bond length is 3.17 Å. There are a spread of Lu–Fe bond distances ranging from 3.05–3.29 Å. Both Lu–C bond lengths are 2.40 Å. Ti is bonded in a 1-coordinate geometry to one Lu and thirteen Fe atoms. There are a spread of Ti–Fe bond distances ranging from 2.37–2.92 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to six Fe and one C atom. There are four shorter (2.45 Å) and two longer (2.64 Å) Fe–Fe bond lengths. The Fe–C bond length is 1.89 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent Ti, six Fe, and one C atom. There are four shorter (2.47 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–C bond length is 1.90 Å. In the third Fe site, Fe is bonded in a single-bond geometry to one Ti, six Fe, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.67 Å. The Fe–C bond length is 1.88 Å. In the fourth Fe site, Fe is bonded to two equivalent Lu, one Ti, and nine Fe atoms to form distorted FeLu2TiFe9 cuboctahedra that share corners with ten equivalent FeLu2TiFe9 cuboctahedra, corners with two equivalent CLu2Fe4 octahedra, edges with four equivalent FeLu2TiFe9 cuboctahedra, faces with six equivalent FeLu2TiFe9 cuboctahedra, and faces with two equivalent CLu2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 67–69°. There are a spread of Fe–Fe bond distances ranging from 2.40–2.62 Å. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Ti and eight Fe atoms. All Fe–Fe bond lengths are 2.96 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Lu, two equivalent Ti, and eleven Fe atoms. The Fe–Fe bond length is 2.43 Å. C is bonded to two equivalent Lu and four Fe atoms to form CLu2Fe4 octahedra that share corners with eight equivalent FeLu2TiFe9 cuboctahedra, corners with two equivalent CLu2Fe4 octahedra, and faces with eight equivalent FeLu2TiFe9 cuboctahedra. The corner-sharing octahedral tilt angles are 2°.
DOI: 10.17188/1728084
title: Materials Data on LuFeO3 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: 10.17188/1728085
title: Materials Data on SmGaNi by Materials Project

description: SmNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ga atoms. There are a spread of Sm–Ni bond distances ranging from 2.90–3.34 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.17 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.53–2.71 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ni atoms.
DOI: 10.17188/1728086
title: Materials Data on Mn12Rh4N by Materials Project

description: Mn12Rh4N crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted single-bond geometry to four Rh and one N atom. There are a spread of Mn–Rh bond distances ranging from 2.52–2.61 Å. The Mn–N bond length is 1.88 Å. In the second Mn site, Mn is bonded to eight Mn and four Rh atoms to form distorted MnMn8Rh4 cuboctahedra that share corners with two equivalent MnMn8Rh4 cuboctahedra, corners with four equivalent RhMn12 cuboctahedra, corners with two equivalent NMn6 octahedra, edges with six RhMn12 cuboctahedra, faces with four equivalent MnMn8Rh4 cuboctahedra, and faces with four RhMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Mn–Mn bond distances ranging from 2.46–2.63 Å. There are a spread of Mn–Rh bond distances ranging from 2.56–2.61 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Mn and four Rh atoms. There are a spread of Mn–Rh bond distances ranging from 2.57–2.60 Å. In the fourth Mn site, Mn is bonded in a distorted single-bond geometry to one Mn, four Rh, and one N atom. There are a spread of Mn–Rh bond distances ranging from 2.51–2.66 Å. The Mn–N bond length is 1.90 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Mn atoms to form RhMn12 cuboctahedra that share corners with six RhMn12 cuboctahedra, corners with two equivalent NMn6 octahedra, edges with two equivalent MnMn8Rh4 cuboctahedra, faces with two equivalent MnMn8Rh4 cuboctahedra, faces with eight RhMn12 cuboctahedra, and faces with two equivalent NMn6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Rh site, Rh is bonded to twelve Mn atoms to form RhMn12 cuboctahedra that share corners with four equivalent MnMn8Rh4 cuboctahedra, corners with six RhMn12 cuboctahedra, a cornercorner with one NMn6 octahedra, edges with four equivalent MnMn8Rh4 cuboctahedra, faces with two equivalent MnMn8Rh4 cuboctahedra, faces with eight RhMn12 cuboctahedra, and a faceface with one NMn6 octahedra. The corner-sharing octahedral tilt angles are 18°. N is bonded to six Mn atoms to form NMn6 octahedra that share corners with four equivalent MnMn8Rh4 cuboctahedra, corners with six RhMn12 cuboctahedra, and faces with six RhMn12 cuboctahedra.
DOI: 10.17188/1728087
title: Materials Data on PtW by Materials Project

description: PtW crystallizes in the trigonal R-3m space group. The structure is three-dimensional. W2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. All W–Pt bond lengths are 2.82 Å. Pt2- is bonded to six equivalent W2+ and six equivalent Pt2- atoms to form a mixture of corner, edge, and face-sharing PtPt6W6 cuboctahedra. All Pt–Pt bond lengths are 2.81 Å.
DOI: 10.17188/1728088
title: Materials Data on NaSi4O13 by Materials Project

description: NaO4Si4O9 crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four NaO4 ribbons oriented in the (1, 0, 0) direction and four Si4O9 sheets oriented in the (0, 0, 1) direction. In each NaO4 ribbon, Na is bonded to six O atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.28–2.87 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Na atom. In the second O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. In the third O site, O is bonded in a single-bond geometry to one Na atom. In each Si4O9 sheet, there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a single-bond geometry to one Si atom. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.
DOI: 10.17188/1728089
title: Materials Data on FeOF 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: 10.17188/1728091
title: Materials Data on Er(CuTe)3 by Materials Project

description: ErCu3Te3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent ErTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Er–Te bond lengths are 3.06 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent ErTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent ErTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–59°. There are a spread of Cu–Te bond distances ranging from 2.61–2.68 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Er3+ and four equivalent Cu1+ atoms.
DOI: 10.17188/1728092
title: Materials Data on Lu3Mg2VS8 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: 10.17188/1728093
title: Materials Data on K4Eu(PSe4)2 by Materials Project

description: K4Eu(PSe4)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.27–3.67 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.46–4.05 Å. Eu2+ is bonded to eight Se2- atoms to form distorted EuSe8 hexagonal bipyramids that share edges with two equivalent EuSe8 hexagonal bipyramids and edges with four equivalent PSe4 tetrahedra. There are four shorter (3.24 Å) and four longer (3.29 Å) Eu–Se bond lengths. P5+ is bonded to four Se2- atoms to form PSe4 tetrahedra that share edges with two equivalent EuSe8 hexagonal bipyramids. There are a spread of P–Se bond distances ranging from 2.22–2.25 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three K1+, two equivalent Eu2+, and one P5+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five K1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom.
DOI: 10.17188/1728094
title: Materials Data on HoZn12 by Materials Project

description: HoZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Ho–Zn bond distances ranging from 3.08–3.38 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Ho and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnHo2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ho and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Ho and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.
DOI: 10.17188/1728095
title: Materials Data on LaSbAu2 by Materials Project

description: LaAu2Sb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaAu2Sb ribbons oriented in the (1, 0, 0) direction. La3+ is bonded in a linear geometry to two equivalent Au atoms. Both La–Au bond lengths are 2.70 Å. Au is bonded in a linear geometry to one La3+ and one Sb3- atom. The Au–Sb bond length is 2.69 Å. Sb3- is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1728097
title: Materials Data on TbSBr by Materials Project

description: TbSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent S2- and three equivalent Br1- atoms to form a mixture of distorted corner and edge-sharing TbS4Br3 pentagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.74–2.76 Å. There are a spread of Tb–Br bond distances ranging from 2.95–3.11 Å. S2- is bonded to four equivalent Tb3+ atoms to form a mixture of distorted corner and edge-sharing STb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.
DOI: 10.17188/1728098
title: Materials Data on U(NO5)2 by Materials Project

description: UNO8NO2 crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two nitrous acid molecules and two UNO8 ribbons oriented in the (0, 1, 0) direction. In each UNO8 ribbon, U is bonded in a distorted see-saw-like geometry to six O atoms. There are a spread of U–O bond distances ranging from 1.83–2.81 Å. N is bonded in a 4-coordinate geometry to four O atoms. There is two shorter (1.19 Å) and two longer (1.98 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one N atom.
DOI: 10.17188/1728099
title: Materials Data on VHO3 by Materials Project

description: V2O5H2O crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two water molecules and two V2O5 sheets oriented in the (0, 0, 1) direction. In each V2O5 sheet, there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.08 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three V5+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.
DOI: 10.17188/1728100
title: Materials Data on B20Ir4W5 by Materials Project

description: W5Ir4B20 crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one W5Ir4B20 sheet oriented in the (0, 0, 1) direction. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are a spread of W–B bond distances ranging from 2.13–2.39 Å. In the second W2+ site, W2+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are two shorter (2.23 Å) and six longer (2.30 Å) W–B bond lengths. In the third W2+ site, W2+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are two shorter (2.22 Å) and six longer (2.30 Å) W–B bond lengths. There are two inequivalent Ir+3.50+ sites. In the first Ir+3.50+ site, Ir+3.50+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are a spread of Ir–B bond distances ranging from 2.20–2.32 Å. In the second Ir+3.50+ site, Ir+3.50+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are a spread of Ir–B bond distances ranging from 2.20–2.30 Å. There are ten inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to three equivalent W2+, one Ir+3.50+, and three equivalent B+1.20- atoms. All B–B bond lengths are 1.83 Å. In the second B+1.20- site, B+1.20- is bonded in a 6-coordinate geometry to three equivalent W2+ and three equivalent B+1.20- atoms. All B–B bond lengths are 1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to three equivalent W2+, one Ir+3.50+, and three equivalent B+1.20- atoms. All B–B bond lengths are 1.84 Å. In the fourth B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to three equivalent W2+, one Ir+3.50+, and three equivalent B+1.20- atoms. All B–B bond lengths are 1.84 Å. In the fifth B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to three equivalent W2+, one Ir+3.50+, and three equivalent B+1.20- atoms. All B–B bond lengths are 1.84 Å. In the sixth B+1.20- site, B+1.20- is bonded to one W2+ and three equivalent B+1.20- atoms to form distorted corner-sharing BB3W tetrahedra. In the seventh B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to one W2+, three equivalent Ir+3.50+, and three equivalent B+1.20- atoms. In the eighth B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to one W2+, three equivalent Ir+3.50+, and three equivalent B+1.20- atoms. In the ninth B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to one W2+, three equivalent Ir+3.50+, and three equivalent B+1.20- atoms. In the tenth B+1.20- site, B+1.20- is bonded in a 7-coordinate geometry to one W2+, three equivalent Ir+3.50+, and three equivalent B+1.20- atoms.