cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1691216
title: Materials Data on Na4W4O15 by Materials Project

description: Na4W4O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.82 Å. In the second Na site, Na is bonded to five O atoms to form NaO5 square pyramids that share corners with three equivalent WO6 octahedra and an edgeedge with one NaO5 square pyramid. The corner-sharing octahedra tilt angles range from 47–66°. There are a spread of Na–O bond distances ranging from 2.27–2.69 Å. There are two inequivalent W sites. In the first W site, W is bonded to six O atoms to form distorted WO6 octahedra that share corners with three equivalent NaO5 square pyramids and an edgeedge with one WO6 octahedra. There are a spread of W–O bond distances ranging from 1.81–2.15 Å. In the second W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three W atoms. In the second O site, O is bonded in a 3-coordinate geometry to one Na and two W atoms. In the third O site, O is bonded in a linear geometry to two equivalent Na atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two Na and one W atom. In the fifth O site, O is bonded in a 4-coordinate geometry to three Na and one W atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to two Na and one W atom. In the seventh O site, O is bonded to two equivalent Na and two W atoms to form distorted edge-sharing ONa2W2 trigonal pyramids. In the eighth O site, O is bonded in a trigonal planar geometry to one Na and two W atoms.
DOI: 10.17188/1691217
title: Materials Data on Mg2CoW3S8 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: 10.17188/1691218
title: Materials Data on MgH24(ClO6)2 by Materials Project

description: Mg(H2O)6(H2O)6Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, two magnesium;hexahydrate molecules, and twelve water molecules.
DOI: 10.17188/1691219
title: Materials Data on NaLi2Au by Materials Project

description: NaLi2Au crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaLi2Au ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Li atoms. Both Na–Li bond lengths are 3.11 Å. Li is bonded in a distorted single-bond geometry to one Na and one Au atom. The Li–Au bond length is 2.48 Å. Au is bonded in a linear geometry to two equivalent Li atoms.
DOI: 10.5517/ccdc.csd.cc266wp0
title: CCDC 2032412: Experimental Crystal Structure Determination

description: Related Article: Yu-Chia Su, Bao-Tsan Ko|2021|Inorg.Chem.|60|852|doi:10.1021/acs.inorgchem.0c02902
DOI: 10.17188/1691220
title: Materials Data on Sm2Mo8O45 by Materials Project

description: Sm2Mo8O41(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one Sm2Mo8O41 ribbon oriented in the (1, 0, 0) direction. In the Sm2Mo8O41 ribbon, Sm is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sm–O bond distances ranging from 2.25–2.76 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.33 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.47 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.30 Å. In the fourth Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.59 Å. There are twenty-one inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Sm atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Sm and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Sm and one O atom. The O–O bond length is 1.34 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the eighth O site, O is bonded in a single-bond geometry to one Mo atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the eleventh O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the fourteenth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifteenth O site, O is bonded in a 4-coordinate geometry to four Mo atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventeenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Mo atoms. In the eighteenth O site, O is bonded in a single-bond geometry to one Mo atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms.
DOI: 10.17188/1691221
title: Materials Data on Mn2Fe3(SiO4)3 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: 10.17188/1691222
title: Materials Data on Na5Mn2P2(CO7)2 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: 10.17188/1691224
title: Materials Data on Cr(PO3)4 by Materials Project

description: Cr(PO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 2.00–2.05 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CrO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CrO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–37°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CrO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 6–44°. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cr4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to one Cr4+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1691225
title: Materials Data on Na2BiAu by Materials Project

description: Na2AuBi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to four equivalent Au and four equivalent Bi atoms. There are two shorter (3.36 Å) and two longer (3.68 Å) Na–Au bond lengths. There are a spread of Na–Bi bond distances ranging from 3.21–3.50 Å. Au is bonded to eight equivalent Na, two equivalent Au, and two equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing AuNa8Bi2Au2 cuboctahedra. Both Au–Au bond lengths are 3.03 Å. Both Au–Bi bond lengths are 2.81 Å. Bi is bonded in a 10-coordinate geometry to eight equivalent Na and two equivalent Au atoms.
DOI: 10.17188/1691227
title: Materials Data on EuSn3Sb4 by Materials Project

description: EuSn3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Eu–Sb bond distances ranging from 3.32–3.65 Å. There are three inequivalent Sn+3.33+ sites. In the first Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the second Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the third Sn+3.33+ site, Sn+3.33+ is bonded to four Sb3- atoms to form corner-sharing SnSb4 tetrahedra. There are a spread of Sn–Sb bond distances ranging from 2.85–2.88 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, edges with three SbEu2Sn3 trigonal bipyramids, and edges with two equivalent SbEuSn3 trigonal pyramids. In the second Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with four equivalent SbEuSn3 trigonal pyramids, and edges with three SbEu2Sn3 trigonal bipyramids. In the third Sb3- site, Sb3- is bonded to one Eu2+ and three Sn+3.33+ atoms to form SbEuSn3 trigonal pyramids that share corners with six SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, and edges with two equivalent SbEu2Sn3 trigonal bipyramids. In the fourth Sb3- site, Sb3- is bonded in a 6-coordinate geometry to three equivalent Eu2+, one Sn+3.33+, and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 2.97 Å.
DOI: 10.17188/1691228
title: Materials Data on Mn5CuO12 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: 10.17188/1691229
title: Materials Data on Al2NiO4 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: 10.17188/1691230
title: Materials Data on Tb2CuPt by Materials Project

description: Tb2PtCu crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Cu atoms. There are one shorter (2.94 Å) and two longer (2.97 Å) Tb–Pt bond lengths. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Cu bond lengths. In the second Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Cu atoms. There are two shorter (2.99 Å) and two longer (3.00 Å) Tb–Pt bond lengths. There are one shorter (2.95 Å) and two longer (2.98 Å) Tb–Cu bond lengths. Pt is bonded in a 9-coordinate geometry to seven Tb and two equivalent Cu atoms. Both Pt–Cu bond lengths are 2.76 Å. Cu is bonded in a 9-coordinate geometry to seven Tb and two equivalent Pt atoms.
DOI: 10.17188/1691231
title: Materials Data on VFeSb by Materials Project

description: FeVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 12-coordinate geometry to two equivalent V, six equivalent Fe, and six equivalent Sb atoms. Both V–V bond lengths are 2.65 Å. All V–Fe bond lengths are 2.86 Å. All V–Sb bond lengths are 2.86 Å. Fe is bonded in a 5-coordinate geometry to six equivalent V and five equivalent Sb atoms. There are three shorter (2.53 Å) and two longer (2.65 Å) Fe–Sb bond lengths. Sb is bonded in a 11-coordinate geometry to six equivalent V and five equivalent Fe atoms.
DOI: 10.17188/1691232
title: Materials Data on TiSO6 by Materials Project

description: TiO2(SO4) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded to six O atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with three equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ti–O bond distances ranging from 1.82–2.15 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–50°. There is one shorter (1.45 Å) and three longer (1.51 Å) S–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Ti atoms. 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 Ti and one S atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ti and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one Ti atom.
DOI: 10.17188/1691233
title: Materials Data on CaNdNb2O7 by Materials Project

description: CaNdNb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ca2+ is bonded to eight O2- atoms to form distorted CaO8 hexagonal bipyramids that share edges with two equivalent CaO8 hexagonal bipyramids, edges with four equivalent NdO8 hexagonal bipyramids, and edges with six NbO6 octahedra. There are two shorter (2.29 Å) and six longer (2.68 Å) Ca–O bond lengths. Nd3+ is bonded to eight O2- atoms to form distorted NdO8 hexagonal bipyramids that share edges with two equivalent NdO8 hexagonal bipyramids, edges with four equivalent CaO8 hexagonal bipyramids, and edges with six NbO6 octahedra. There are a spread of Nd–O bond distances ranging from 2.31–2.62 Å. There are two inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra, edges with two equivalent CaO8 hexagonal bipyramids, and edges with four equivalent NdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 46–49°. There are four shorter (2.04 Å) and two longer (2.05 Å) Nb–O bond lengths. In the second Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra, edges with two equivalent NdO8 hexagonal bipyramids, and edges with four equivalent CaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–46°. There are two shorter (2.03 Å) and four longer (2.04 Å) Nb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Nb+4.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Nd3+, and two Nb+4.50+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Nd3+ atoms to form corner-sharing OCa2Nd2 tetrahedra.
DOI: 10.17188/1691234
title: Materials Data on AgBrO3 by Materials Project

description: AgBrO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.49 Å) and six longer (3.14 Å) Ag–O bond lengths. O2- is bonded in a 2-coordinate geometry to three equivalent Ag1+ and one Br5+ atom. The O–Br bond length is 1.70 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms.
DOI: 10.17188/1691235
title: Materials Data on Cs2Sb2SO5F6 by Materials Project

description: Cs2Sb2SO5F6 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to five O2- and six F1- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.59 Å. There are a spread of Cs–F bond distances ranging from 2.98–3.28 Å. Sb4+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.00 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and two equivalent O2- atoms. Both O–O bond lengths are 2.99 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one S6+, and one O2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Sb4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Sb4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Sb4+ atom.
DOI: 10.17188/1691236
title: Materials Data on Mg2ScMn3S8 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: 10.17188/1691237
title: Materials Data on Tc3Te by Materials Project

description: Tc3Te is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tc+0.67+ sites. In the first Tc+0.67+ site, Tc+0.67+ is bonded to four equivalent Te2- atoms to form TcTe4 tetrahedra that share corners with twelve equivalent TcTe6 octahedra, corners with sixteen equivalent TcTe4 tetrahedra, edges with six equivalent TcTe4 tetrahedra, and faces with four equivalent TcTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Tc–Te bond lengths are 2.76 Å. In the second Tc+0.67+ site, Tc+0.67+ is bonded to six equivalent Te2- atoms to form TcTe6 octahedra that share corners with six equivalent TcTe6 octahedra, corners with twenty-four equivalent TcTe4 tetrahedra, edges with twelve equivalent TcTe6 octahedra, and faces with eight equivalent TcTe4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–Te bond lengths are 3.18 Å. Te2- is bonded in a distorted body-centered cubic geometry to fourteen Tc+0.67+ atoms.
DOI: 10.17188/1691238
title: Materials Data on Li3Fe2(CO3)4 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: 10.17188/1691239
title: Materials Data on Ba3Ce2O6 by Materials Project

description: Ba3Ce2O6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.54–3.22 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.96 Å. Ce3+ is bonded to five O2- atoms to form corner-sharing CeO5 square pyramids. There are one shorter (2.22 Å) and four longer (2.28 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two equivalent Ce3+ atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Ce2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded in a distorted linear geometry to five equivalent Ba2+ and one Ce3+ atom.
DOI: 10.17188/1691240
title: Materials Data on LiVF4 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: 10.17188/1691242
title: Materials Data on TiH2 by Materials Project

description: TiH2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing TiH6 octahedra. The corner-sharing octahedral tilt angles are 58°. There is two shorter (1.82 Å) and four longer (1.84 Å) Ti–H bond length. H1- is bonded in a trigonal planar geometry to three equivalent Ti2+ atoms.