cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197251
title: Materials Data on Ba(Co5As3)2 by Materials Project

description: Ba(Co5As3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to eight As3- atoms. There are a spread of Ba–As bond distances ranging from 3.24–3.66 Å. There are seven inequivalent Co+1.60+ sites. In the first Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.40–2.44 Å. In the second Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.28–2.42 Å. In the third Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.32–2.43 Å. In the fourth Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.25–2.35 Å. In the fifth Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.30–2.39 Å. In the sixth Co+1.60+ site, Co+1.60+ is bonded in a 3-coordinate geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Co–As bond lengths. In the seventh Co+1.60+ site, Co+1.60+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.31–2.46 Å. There are five inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to two equivalent Ba2+ and six Co+1.60+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to one Ba2+ and eight Co+1.60+ atoms. In the third As3- site, As3- is bonded in a 9-coordinate geometry to one Ba2+ and seven Co+1.60+ atoms. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to one Ba2+ and six Co+1.60+ atoms. In the fifth As3- site, As3- is bonded in a 6-coordinate geometry to one Ba2+ and six Co+1.60+ atoms.
DOI: 10.17188/1197252
title: Materials Data on BPt by Materials Project

description: PtB crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt is bonded in a 6-coordinate geometry to six equivalent B atoms. All Pt–B bond lengths are 2.36 Å. B is bonded in a body-centered cubic geometry to six equivalent Pt and two equivalent B atoms. Both B–B bond lengths are 1.83 Å.
DOI: 10.17188/1197253
title: Materials Data on Te3(PbO4)2 by Materials Project

description: Pb2Te3O8 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–3.10 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–3.14 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.93 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.37 Å. In the third Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.92 Å) Te–O bond length. In the fourth Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.18 Å) Te–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pb2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Pb2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to four Pb2+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms.
DOI: 10.17188/1197254
title: Materials Data on Sc11(AlGe4)2 by Materials Project

description: Sc11(AlGe4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded to seven Ge atoms to form a mixture of distorted edge, corner, and face-sharing ScGe7 pentagonal bipyramids. There are a spread of Sc–Ge bond distances ranging from 2.75–3.14 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to two equivalent Al and five Ge atoms. Both Sc–Al bond lengths are 2.99 Å. There are a spread of Sc–Ge bond distances ranging from 2.74–2.80 Å. In the third Sc site, Sc is bonded in a 7-coordinate geometry to one Al and six Ge atoms. The Sc–Al bond length is 2.97 Å. There are a spread of Sc–Ge bond distances ranging from 2.61–3.16 Å. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to four equivalent Al and five Ge atoms. All Sc–Al bond lengths are 3.16 Å. There are four shorter (3.01 Å) and one longer (3.20 Å) Sc–Ge bond lengths. Al is bonded in a 11-coordinate geometry to seven Sc, two equivalent Al, and two equivalent Ge atoms. Both Al–Al bond lengths are 2.66 Å. Both Al–Ge bond lengths are 2.80 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Sc atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to eight Sc, one Al, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms.
DOI: 10.17188/1197255
title: Materials Data on In9Pb4S17 by Materials Project

description: In9Pb4S17 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent In+2.89+ sites. In the first In+2.89+ site, In+2.89+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of In–S bond distances ranging from 2.62–2.71 Å. In the second In+2.89+ site, In+2.89+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. There are a spread of In–S bond distances ranging from 2.63–2.78 Å. In the third In+2.89+ site, In+2.89+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are a spread of In–S bond distances ranging from 2.55–2.89 Å. In the fourth In+2.89+ site, In+2.89+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.61 Å) and four longer (2.70 Å) In–S bond lengths. In the fifth In+2.89+ site, In+2.89+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing InS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of In–S bond distances ranging from 2.63–2.79 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.91–3.50 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.88–3.38 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three In+2.89+ and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three In+2.89+ and two equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three In+2.89+ and two equivalent Pb2+ atoms. In the fourth S2- site, S2- is bonded to five In+2.89+ and one Pb2+ atom to form distorted edge-sharing SIn5Pb square pyramids. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to three In+2.89+ and two Pb2+ atoms. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to three In+2.89+ and two equivalent Pb2+ atoms. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to one In+2.89+ and four Pb2+ atoms. In the eighth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four In+2.89+ atoms. In the ninth S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent In+2.89+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1197256
title: Materials Data on TiSe2 by Materials Project

description: TiSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiSe2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent Se2- atoms to form edge-sharing TiSe6 octahedra. All Ti–Se bond lengths are 2.57 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.
DOI: 10.17188/1197257
title: Materials Data on Th(Fe2P)2 by Materials Project

description: Th(Fe2P)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 8-coordinate geometry to eleven Fe and six P atoms. There are a spread of Th–Fe bond distances ranging from 2.97–3.38 Å. There are two shorter (2.92 Å) and four longer (2.95 Å) Th–P bond lengths. In the second Th site, Th is bonded in a 6-coordinate geometry to ten Fe and six P atoms. There are a spread of Th–Fe bond distances ranging from 3.05–3.21 Å. There are two shorter (2.89 Å) and four longer (2.95 Å) Th–P bond lengths. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Th and two equivalent P atoms. Both Fe–P bond lengths are 2.43 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent Th and two P atoms. There are one shorter (2.37 Å) and one longer (2.45 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 3-coordinate geometry to three Th and three P atoms. There are two shorter (2.33 Å) and one longer (2.35 Å) Fe–P bond lengths. In the fourth Fe site, Fe is bonded to five Th and four P atoms to form a mixture of distorted corner, edge, and face-sharing FeTh5P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.30–2.50 Å. In the fifth Fe site, Fe is bonded to three equivalent Th and four P atoms to form distorted FeTh3P4 tetrahedra that share corners with seven FeTh5P4 tetrahedra, edges with two equivalent FeTh3P4 tetrahedra, and faces with three equivalent FeTh5P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.26–2.31 Å. In the sixth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to two Th and three P atoms. There are one shorter (2.16 Å) and two longer (2.28 Å) Fe–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three Th and six Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Th and five Fe atoms.
DOI: 10.17188/1197258
title: Materials Data on Ba(InS2)2 by Materials Project

description: BaIn2S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.29–3.38 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.30 Å) and four longer (3.35 Å) Ba–S bond lengths. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.31 Å) and four longer (3.34 Å) Ba–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.45–2.53 Å. In the second In3+ site, In3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing InS4 tetrahedra. There are a spread of In–S bond distances ranging from 2.45–2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Ba2+ and two In3+ atoms. In the second S2- site, S2- is bonded to two Ba2+ and two In3+ atoms to form a mixture of distorted corner and edge-sharing SBa2In2 trigonal pyramids. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two Ba2+ and two equivalent In3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent In3+ atoms.
DOI: 10.17188/1197259
title: Materials Data on Ge3Ru2 by Materials Project

description: Ru2Ge3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.69 Å. In the second Ru site, Ru is bonded to six Ge atoms to form distorted edge-sharing RuGe6 octahedra. There are a spread of Ru–Ge bond distances ranging from 2.42–2.57 Å. In the third Ru site, Ru is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.45–2.90 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Ru atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five Ru atoms. In the third Ge site, Ge is bonded in a 5-coordinate geometry to five Ru atoms.
DOI: 10.17188/1197260
title: Materials Data on K9Co2S7 by Materials Project

description: K9Co2S7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five S2- atoms to form distorted KS5 square pyramids that share a cornercorner with one KS6 octahedra, corners with nine KS5 square pyramids, edges with four equivalent KS5 square pyramids, and a faceface with one KS6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of K–S bond distances ranging from 3.02–3.40 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. All K–S bond lengths are 3.23 Å. In the third K1+ site, K1+ is bonded to six S2- atoms to form a mixture of face and corner-sharing KS6 octahedra. There are three shorter (3.37 Å) and three longer (3.39 Å) K–S bond lengths. In the fourth K1+ site, K1+ is bonded to five S2- atoms to form distorted KS5 square pyramids that share a cornercorner with one KS6 octahedra, corners with nine KS5 square pyramids, edges with four equivalent KS5 square pyramids, and a faceface with one KS6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of K–S bond distances ranging from 3.02–3.40 Å. In the fifth K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. All K–S bond lengths are 3.23 Å. There are two inequivalent Co+2.50+ sites. In the first Co+2.50+ site, Co+2.50+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Co–S bond lengths are 2.19 Å. In the second Co+2.50+ site, Co+2.50+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Co–S bond lengths are 2.19 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Co+2.50+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Co+2.50+ atom. In the third S2- site, S2- is bonded in an octahedral geometry to six K1+ atoms.
DOI: 10.17188/1197261
title: Materials Data on Ce(SO4)2 by Materials Project

description: Ce(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.30–2.47 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Ce4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ce4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one S6+ atom.
DOI: 10.17188/1197262
title: Materials Data on K4PbO3 by Materials Project

description: K4PbO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.70–2.81 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with three equivalent KO5 square pyramids, corners with two equivalent KO4 tetrahedra, and edges with two equivalent KO5 square pyramids. There are a spread of K–O bond distances ranging from 2.68–2.82 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 square pyramids that share corners with three equivalent KO4 tetrahedra, edges with two equivalent KO5 square pyramids, and edges with two equivalent KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.74–2.91 Å. In the fourth K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.71 Å. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.20–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 17–72°. In the second O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°. In the third O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°.
DOI: 10.17188/1197263
title: Materials Data on LuMg by Materials Project

description: MgLu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. All Mg–Lu bond lengths are 3.23 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1197264
title: Materials Data on Er3Co29(Si2B5)2 by Materials Project

description: CoEr3Co28(B5Si2)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional and consists of two cobalt molecules and one Er3Co28(B5Si2)2 framework. In the Er3Co28(B5Si2)2 framework, there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to four equivalent Si4- atoms. All Er–Si bond lengths are 3.26 Å. In the second Er3+ site, Er3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Er–Si bond lengths are 3.18 Å. There are six inequivalent Co+1.28+ sites. In the first Co+1.28+ site, Co+1.28+ is bonded in a distorted bent 150 degrees geometry to two B3- and two equivalent Si4- atoms. There are one shorter (2.12 Å) and one longer (2.15 Å) Co–B bond lengths. Both Co–Si bond lengths are 2.65 Å. In the second Co+1.28+ site, Co+1.28+ is bonded in a distorted single-bond geometry to one B3- and three equivalent Si4- atoms. The Co–B bond length is 1.90 Å. There are one shorter (2.37 Å) and two longer (2.42 Å) Co–Si bond lengths. In the third Co+1.28+ site, Co+1.28+ is bonded in a square co-planar geometry to four B3- atoms. There are three shorter (2.06 Å) and one longer (2.11 Å) Co–B bond lengths. In the fourth Co+1.28+ site, Co+1.28+ is bonded in a distorted T-shaped geometry to three B3- and one Si4- atom. There are one shorter (2.08 Å) and two longer (2.13 Å) Co–B bond lengths. The Co–Si bond length is 2.53 Å. In the fifth Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometry to three B3- and one Si4- atom. There are a spread of Co–B bond distances ranging from 2.03–2.13 Å. The Co–Si bond length is 2.33 Å. In the sixth Co+1.28+ site, Co+1.28+ is bonded in a distorted rectangular see-saw-like geometry to three B3- and one Si4- atom. There are a spread of Co–B bond distances ranging from 2.05–2.11 Å. The Co–Si bond length is 2.34 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. The B–B bond length is 1.96 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. In the third B3- site, B3- is bonded in a 7-coordinate geometry to seven Co+1.28+ atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to eight Co+1.28+ and one B3- atom. The B–B bond length is 2.04 Å. Si4- is bonded in a 12-coordinate geometry to three Er3+ and nine Co+1.28+ atoms.