cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1282707
title: Materials Data on Pt4(O3F8)3 by Materials Project

description: (PtF6)2PtOF6PtO3F5(O2)2OF crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one hypofluorous acid molecule, two oxygen molecules, two PtF6 clusters, one PtO3F5 cluster, and one PtOF6 cluster. In each PtF6 cluster, Pt is bonded in an octahedral geometry to six F atoms. There are a spread of Pt–F bond distances ranging from 1.90–1.93 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pt atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a single-bond geometry to one Pt atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the sixth F site, F is bonded in a single-bond geometry to one Pt atom. In the PtO3F5 cluster, Pt is bonded in an octahedral geometry to one O and five F atoms. The Pt–O bond length is 2.16 Å. There are a spread of Pt–F bond distances ranging from 1.91–2.17 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one F atom. The O–F bond length is 1.42 Å. In the third O site, O is bonded in a single-bond geometry to one O atom. There are five inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a single-bond geometry to one Pt atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the PtOF6 cluster, Pt is bonded in an octahedral geometry to six F atoms. There are a spread of Pt–F bond distances ranging from 1.91–2.25 Å. O is bonded in a single-bond geometry to one F atom. The O–F bond length is 1.40 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pt atom. In the second F site, F is bonded in a single-bond geometry to one Pt atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Pt and one O atom. In the fourth F site, F is bonded in a single-bond geometry to one Pt atom. In the fifth F site, F is bonded in a single-bond geometry to one Pt atom. In the sixth F site, F is bonded in a single-bond geometry to one Pt atom.
DOI: 10.17188/1282708
title: Materials Data on BaBi4O7 by Materials Project

description: BaBi4O7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.53–3.26 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.02–2.32 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.81 Å. In the third Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.33 Å. In the fourth Bi3+ site, Bi3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.05–2.34 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and two Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to one Ba2+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms.
DOI: 10.17188/1282710
title: Materials Data on La2Te4Pb by Materials Project

description: La2PbTe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. La3+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent LaTe8 hexagonal bipyramids, corners with four equivalent PbTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent LaTe8 hexagonal bipyramids, and faces with four equivalent PbTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.27–3.46 Å. Pb2+ is bonded to eight equivalent Te2- atoms to form distorted PbTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent PbTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.32 Å) and four longer (3.49 Å) Pb–Te bond lengths. Te2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1282711
title: Materials Data on LiTiCl3 by Materials Project

description: LiTiCl3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Li–Cl bond lengths are 2.53 Å. Ti2+ is bonded to six Cl1- atoms to form corner-sharing TiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.43 Å) and four longer (2.53 Å) Ti–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Ti2+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Ti2+ atoms.
DOI: 10.17188/1282712
title: Materials Data on Mo2RuSe4 by Materials Project

description: Mo2RuSe4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to five Se2- atoms to form MoSe5 square pyramids that share corners with two MoSe5 square pyramids, corners with two RuSe5 square pyramids, edges with two equivalent RuSe5 square pyramids, and edges with three MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.55–2.68 Å. In the second Mo3+ site, Mo3+ is bonded to five Se2- atoms to form MoSe5 square pyramids that share corners with two MoSe5 square pyramids, corners with two RuSe5 square pyramids, edges with two equivalent RuSe5 square pyramids, and edges with three MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.69 Å. In the third Mo3+ site, Mo3+ is bonded to five Se2- atoms to form MoSe5 square pyramids that share corners with four MoSe5 square pyramids, edges with two equivalent MoSe5 square pyramids, and edges with three RuSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.65 Å. In the fourth Mo3+ site, Mo3+ is bonded to five Se2- atoms to form MoSe5 square pyramids that share corners with four MoSe5 square pyramids, edges with two equivalent MoSe5 square pyramids, and edges with three RuSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.66 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to five Se2- atoms to form RuSe5 square pyramids that share corners with two MoSe5 square pyramids, corners with two equivalent RuSe5 square pyramids, and edges with five MoSe5 square pyramids. There are a spread of Ru–Se bond distances ranging from 2.49–2.67 Å. In the second Ru2+ site, Ru2+ is bonded to five Se2- atoms to form RuSe5 square pyramids that share corners with two MoSe5 square pyramids, corners with two equivalent RuSe5 square pyramids, and edges with five MoSe5 square pyramids. There are a spread of Ru–Se bond distances ranging from 2.50–2.67 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Mo3+ and one Ru2+ atom. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three Mo3+ and one Ru2+ atom. In the third Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to three Mo3+ and one Ru2+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Mo3+ and two Ru2+ atoms. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Mo3+ and one Ru2+ atom. In the sixth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Mo3+ and one Ru2+ atom. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to two Mo3+ and two Ru2+ atoms. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Mo3+ and one Ru2+ atom.
DOI: 10.17188/1282713
title: Materials Data on CdIn2O4 by Materials Project

description: CdIn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent CdO6 octahedra, and edges with four equivalent InO6 octahedra. There are four shorter (2.31 Å) and two longer (2.35 Å) Cd–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with six equivalent CdO6 octahedra and corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–58°. There are two shorter (2.10 Å) and two longer (2.13 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent InO4 tetrahedra, edges with two equivalent InO6 octahedra, and edges with four equivalent CdO6 octahedra. There are two shorter (2.19 Å) and four longer (2.24 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Cd2+ and three In3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Cd2+ and two In3+ atoms.
DOI: 10.17188/1282714
title: Materials Data on Zr3Sc4O12 by Materials Project

description: Sc4Zr3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.07–2.67 Å. In the second Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.10–2.71 Å. In the third Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.08–2.68 Å. In the fourth Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.11–2.70 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.52 Å. In the second Zr4+ site, Zr4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zr–O bond distances ranging from 2.07–2.14 Å. In the third Zr4+ site, Zr4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Zr–O bond distances ranging from 2.08–2.59 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Sc3+ and two Zr4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sc3+ and three Zr4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and two Zr4+ atoms. In the fourth O2- site, O2- is bonded to three Sc3+ and one Zr4+ atom to form distorted OZrSc3 tetrahedra that share corners with six OZr2Sc2 tetrahedra and edges with three OZrSc3 tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and two Zr4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Sc3+ and two Zr4+ atoms. In the seventh O2- site, O2- is bonded to two Sc3+ and two equivalent Zr4+ atoms to form distorted OZr2Sc2 tetrahedra that share corners with six OZrSc3 tetrahedra and edges with three OZr2Sc2 tetrahedra. In the eighth O2- site, O2- is bonded to two Sc3+ and two equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr2Sc2 tetrahedra. In the ninth O2- site, O2- is bonded to three Sc3+ and one Zr4+ atom to form a mixture of distorted edge and corner-sharing OZrSc3 tetrahedra. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sc3+ and one Zr4+ atom. In the eleventh O2- site, O2- is bonded to three Sc3+ and one Zr4+ atom to form a mixture of distorted edge and corner-sharing OZrSc3 tetrahedra. In the twelfth O2- site, O2- is bonded to three Sc3+ and one Zr4+ atom to form distorted OZrSc3 tetrahedra that share corners with six OZrSc3 tetrahedra and edges with three OZr2Sc2 tetrahedra.
DOI: 10.17188/1282718
title: Materials Data on Li2MnBr4 by Materials Project

description: Li2MnBr4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six LiBr6 octahedra, edges with four equivalent LiBr6 octahedra, and edges with four equivalent MnBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Li–Br bond distances ranging from 2.72–2.79 Å. In the second Li1+ site, Li1+ is bonded to six Br1- atoms to form LiBr6 octahedra that share corners with six LiBr6 octahedra, edges with four equivalent LiBr6 octahedra, and edges with four equivalent MnBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Li–Br bond distances ranging from 2.72–2.79 Å. Mn2+ is bonded to six Br1- atoms to form MnBr6 octahedra that share corners with four equivalent MnBr6 octahedra and edges with eight LiBr6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Mn–Br bond distances ranging from 2.60–2.83 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four Li1+ and one Mn2+ atom to form a mixture of edge and corner-sharing BrLi4Mn square pyramids. In the second Br1- site, Br1- is bonded to four Li1+ and one Mn2+ atom to form a mixture of edge and corner-sharing BrLi4Mn square pyramids. In the third Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent Mn2+ atoms. In the fourth Br1- site, Br1- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1282719
title: Materials Data on K3SnSb3 by Materials Project

description: K3SnSb3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted octahedral geometry to two equivalent K1+ and four Sb+2.33- atoms. Both K–K bond lengths are 3.30 Å. There are two shorter (4.04 Å) and two longer (4.09 Å) K–Sb bond lengths. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent Sb+2.33- atoms. Both K–K bond lengths are 3.35 Å. Both K–Sb bond lengths are 4.07 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+ and four Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 2.84–3.96 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+, one Sn4+, and three equivalent Sb+2.33- atoms. The K–Sn bond length is 2.80 Å. There are a spread of K–Sb bond distances ranging from 3.73–4.01 Å. Sn4+ is bonded in a 4-coordinate geometry to one K1+ and three Sb+2.33- atoms. There are a spread of Sn–Sb bond distances ranging from 2.41–3.39 Å. There are three inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 1-coordinate geometry to two K1+, one Sn4+, and two Sb+2.33- atoms. There are one shorter (2.35 Å) and one longer (3.29 Å) Sb–Sb bond lengths. In the second Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom.
DOI: 10.17188/1282720
title: Materials Data on Sn4Bi2Se7 by Materials Project

description: Sn4Bi2Se7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to six Se2- atoms to form SnSe6 octahedra that share a cornercorner with one BiSe6 octahedra, corners with four SnSe6 octahedra, edges with four equivalent BiSe6 octahedra, and edges with six SnSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Sn–Se bond distances ranging from 2.87–3.21 Å. In the second Sn2+ site, Sn2+ is bonded to six Se2- atoms to form SnSe6 octahedra that share corners with two equivalent BiSe6 octahedra, corners with three SnSe6 octahedra, edges with three equivalent BiSe6 octahedra, and edges with eight SnSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–5°. There are a spread of Sn–Se bond distances ranging from 2.84–3.24 Å. Bi3+ is bonded to six Se2- atoms to form BiSe6 octahedra that share corners with three SnSe6 octahedra, corners with three equivalent BiSe6 octahedra, edges with two equivalent BiSe6 octahedra, and edges with seven SnSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Bi–Se bond distances ranging from 2.93–3.01 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Sn2+ and three equivalent Bi3+ atoms to form SeSn2Bi3 square pyramids that share corners with two equivalent SeSn5Bi octahedra, corners with five SeSn2Bi3 square pyramids, edges with three equivalent SeSn5Bi octahedra, and edges with four SeSn2Bi3 square pyramids. The corner-sharing octahedra tilt angles range from 1–3°. In the second Se2- site, Se2- is bonded to four Sn2+ and one Bi3+ atom to form SeSn4Bi square pyramids that share a cornercorner with one SeSn5Bi octahedra, corners with five SeSn2Bi3 square pyramids, edges with five equivalent SeSn5Bi octahedra, and edges with three SeSn2Bi3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the third Se2- site, Se2- is bonded to five Sn2+ and one Bi3+ atom to form SeSn5Bi octahedra that share corners with two equivalent SeSn5Bi octahedra, corners with three SeSn2Bi3 square pyramids, edges with three equivalent SeSn5Bi octahedra, and edges with eight SeSn2Bi3 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fourth Se2- site, Se2- is bonded in a square co-planar geometry to two equivalent Sn2+ and two equivalent Bi3+ atoms.
DOI: 10.17188/1282721
title: Materials Data on PuPaO4 by Materials Project

description: PuPaO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pu–O bond lengths are 2.40 Å. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.32 Å. O2- is bonded to two equivalent Pu3+ and two equivalent Pa5+ atoms to form a mixture of edge and corner-sharing OPu2Pa2 tetrahedra.
DOI: 10.17188/1282722
title: Materials Data on Li6I3N by Materials Project

description: Li6NI3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted single-bond geometry to one N3- and three I1- atoms. The Li–N bond length is 1.96 Å. All Li–I bond lengths are 2.96 Å. In the second Li1+ site, Li1+ is bonded in a distorted single-bond geometry to one N3- and five I1- atoms. The Li–N bond length is 1.95 Å. There are a spread of Li–I bond distances ranging from 2.85–3.53 Å. In the third Li1+ site, Li1+ is bonded in a distorted single-bond geometry to one N3- and three I1- atoms. The Li–N bond length is 1.96 Å. There are one shorter (2.99 Å) and two longer (3.04 Å) Li–I bond lengths. In the fourth Li1+ site, Li1+ is bonded in a distorted single-bond geometry to one N3- and three I1- atoms. The Li–N bond length is 1.96 Å. There are two shorter (2.94 Å) and one longer (3.04 Å) Li–I bond lengths. In the fifth Li1+ site, Li1+ is bonded in a distorted single-bond geometry to one N3- and three I1- atoms. The Li–N bond length is 1.96 Å. There are two shorter (3.01 Å) and one longer (3.16 Å) Li–I bond lengths. N3- is bonded to six Li1+ atoms to form NLi6 octahedra that share corners with six equivalent ILi6 octahedra. The corner-sharing octahedra tilt angles range from 5–37°. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 8-coordinate geometry to eight Li1+ atoms. In the second I1- site, I1- is bonded to six Li1+ atoms to form ILi6 octahedra that share corners with six equivalent NLi6 octahedra. The corner-sharing octahedra tilt angles range from 5–37°.
DOI: 10.17188/1282723
title: Materials Data on Ba3(Ge2C)2 by Materials Project

description: Ba3Ge4C2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to two equivalent Ge and three equivalent C atoms to form a mixture of distorted edge and corner-sharing BaGe2C3 trigonal bipyramids. Both Ba–Ge bond lengths are 3.22 Å. There are a spread of Ba–C bond distances ranging from 2.85–3.03 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. There are four shorter (3.70 Å) and four longer (3.79 Å) Ba–Ge bond lengths. Ge is bonded in a 1-coordinate geometry to three Ba and three equivalent Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.52–2.66 Å. C is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ba and one C atom. The C–C bond length is 1.27 Å.