cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1712130
title: Materials Data on Yb2PbS4 by Materials Project

description: Yb2PbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share corners with two equivalent YbS5 square pyramids, edges with four equivalent YbS7 pentagonal bipyramids, and edges with two equivalent YbS5 square pyramids. There are a spread of Yb–S bond distances ranging from 2.76–3.24 Å. In the second Yb3+ site, Yb3+ is bonded to five S2- atoms to form YbS5 square pyramids that share corners with two equivalent YbS7 pentagonal bipyramids, edges with two equivalent YbS7 pentagonal bipyramids, and edges with two equivalent YbS5 square pyramids. There are a spread of Yb–S bond distances ranging from 2.68–2.92 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.86–3.59 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Yb3+ and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three Yb3+, two equivalent Pb2+, and one S2- atom. The S–S bond length is 2.14 Å. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Yb3+ and two equivalent Pb2+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Yb3+, two equivalent Pb2+, and one S2- atom.
DOI: 10.17188/1712131
title: Materials Data on SiTc2P by Materials Project

description: Tc2SiP crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Tc2SiP ribbons oriented in the (1, 0, 0) direction. Tc+0.50- is bonded in a linear geometry to one Si4- and one P5+ atom. The Tc–Si bond length is 2.31 Å. The Tc–P bond length is 2.21 Å. Si4- is bonded in a linear geometry to two equivalent Tc+0.50- atoms. P5+ is bonded in a linear geometry to two equivalent Tc+0.50- atoms.
DOI: 10.17188/1712133
title: Materials Data on NaNi2O3 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: 10.17188/1712134
title: Materials Data on ZnNi3(B2O5)2 by Materials Project

description: Ni3Zn(B2O5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent ZnO6 octahedra and edges with four NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.05–2.14 Å. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.06–2.15 Å. In the third Ni2+ site, Ni2+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.03–2.23 Å. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with two equivalent ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.32 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.43 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.43 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ni2+, one Zn2+, and one B3+ atom to form distorted corner-sharing OZnNi2B tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Ni2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ni2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ni2+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ni2+, two equivalent Zn2+, and one B3+ atom. In the eighth O2- site, O2- is bonded to three Ni2+ and one B3+ atom to form distorted corner-sharing ONi3B trigonal pyramids. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Ni2+ and one B3+ atom. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ni2+ and one B3+ atom.
DOI: 10.17188/1712135
title: Materials Data on Li3Mn(OF)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: 10.17188/1712137
title: Materials Data on LiFeSbO4 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: 10.17188/1712138
title: Materials Data on Ca3MnS2O17 by Materials Project

description: Ca3MnS2O17 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.31–2.72 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.69 Å. In the third Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.70 Å. Mn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Mn–O bond distances ranging from 1.72–1.95 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two Ca and one Mn atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Ca and one Mn atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Ca and one Mn atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ca and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one S atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Ca and one S atom. In the seventh O site, O is bonded in a single-bond geometry to one S atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two Ca atoms. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to two Ca atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Ca atoms.
DOI: 10.17188/1712139
title: Materials Data on K2HgAuF6 by Materials Project

description: K2AuHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent AuF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.22 Å. Au2+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.25 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.30 Å. F1- is bonded to four equivalent K1+, one Au2+, and one Hg2+ atom to form a mixture of distorted edge, face, and corner-sharing FK4HgAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1712140
title: Materials Data on CeH8(SO6)2 by Materials Project

description: CeH8(SO6)2 crystallizes in the orthorhombic Fddd space group. The structure is two-dimensional and consists of four CeH8(SO6)2 sheets oriented in the (0, 0, 1) direction. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.41 Å) Ce–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ce4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one S6+ atom.
DOI: 10.17188/1712141
title: Materials Data on LiVOF2 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: 10.17188/1712142
title: Materials Data on Ni3(SeO4)2 by Materials Project

description: (Ni6Se4O15)2O2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional and consists of two O2 ribbons oriented in the (0, 0, 1) direction and one Ni6Se4O15 framework. In each O2 ribbon, O2- is bonded in a linear geometry to two equivalent O2- atoms. Both O–O bond lengths are 2.41 Å. In the Ni6Se4O15 framework, there are three inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form a mixture of edge, face, and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 29–59°. There are a spread of Ni–O bond distances ranging from 2.04–2.11 Å. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form a mixture of edge, face, and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–59°. There are a spread of Ni–O bond distances ranging from 2.04–2.13 Å. In the third Ni4+ site, Ni4+ is bonded to six O2- atoms to form a mixture of edge, face, and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–60°. There are a spread of Ni–O bond distances ranging from 2.04–2.13 Å. There are three inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) Se–O bond length. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) Se–O bond length. In the third Se2+ site, Se2+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ni4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Ni4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ni4+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Ni4+ and one Se2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ni4+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni4+ and one Se2+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni4+ and one Se2+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ni4+ and one Se2+ atom.
DOI: 10.17188/1712143
title: Materials Data on Li2V3SnO8 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: 10.17188/1712144
title: Materials Data on LaSnO3 by Materials Project

description: LaSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All La–O bond lengths are 2.98 Å. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.11 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Sn3+ atoms.
DOI: 10.17188/1712145
title: Materials Data on CsLiMoO4 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: 10.17188/1712147
title: Materials Data on Fe2(AsO4)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: 10.17188/1712148
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to one Mg and thirteen Si atoms. The Mg–Mg bond length is 2.88 Å. There are a spread of Mg–Si bond distances ranging from 2.78–3.17 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to four Mg and ten Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.07 Å. There are a spread of Mg–Si bond distances ranging from 2.76–3.16 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to three equivalent Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–2.99 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two Mg and eleven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.25 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.53–2.94 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.60 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are two shorter (2.51 Å) and two longer (2.62 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. The Si–Si bond length is 2.56 Å. In the fifth Si site, Si is bonded in a 1-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.56–2.82 Å. In the sixth Si site, Si is bonded in a 1-coordinate geometry to four Mg and five Si atoms. In the seventh Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. The Si–Si bond length is 2.66 Å. In the eighth Si site, Si is bonded in a 11-coordinate geometry to five Mg and six Si atoms.
DOI: 10.17188/1712149
title: Materials Data on CaMnZnAs2H3O10 by Materials Project

description: CaMnZnAs2H3O10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to four O2- atoms. There are a spread of Ca–O bond distances ranging from 2.10–2.29 Å. Mn3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.58–2.08 Å. Zn2+ is bonded in a distorted octahedral geometry to two H1+ and four O2- atoms. There is one shorter (1.78 Å) and one longer (1.87 Å) Zn–H bond length. There are a spread of Zn–O bond distances ranging from 1.72–2.35 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.33–2.41 Å. In the second As5+ site, As5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.33–2.41 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one Zn2+ and one O2- atom. The H–O bond length is 1.30 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one Zn2+ and one O2- atom. The H–O bond length is 1.28 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.36 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Ca2+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in an L-shaped geometry to one Ca2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn3+, one Zn2+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Mn3+, one Zn2+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+ and one As5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Mn3+, one Zn2+, and two H1+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Mn3+, one Zn2+, and one H1+ atom.
DOI: 10.17188/1712151
title: Materials Data on B4Pb6O13 by Materials Project

description: B4Pb6O13 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. There are four inequivalent Pb+2.33+ sites. In the first Pb+2.33+ site, Pb+2.33+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.55 Å. In the second Pb+2.33+ site, Pb+2.33+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.24 Å) and one longer (2.30 Å) Pb–O bond lengths. In the third Pb+2.33+ site, Pb+2.33+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.91 Å. In the fourth Pb+2.33+ site, Pb+2.33+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.44 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb+2.33+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Pb+2.33+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three Pb+2.33+ atoms. In the fifth O2- site, O2- is bonded to four Pb+2.33+ atoms to form distorted edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ and one Pb+2.33+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb+2.33+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.
DOI: 10.17188/1712152
title: Materials Data on VH4NF4 by Materials Project

description: VF4NH4 crystallizes in the tetragonal P4_2/ncm space group. The structure is two-dimensional and consists of twenty ammonium molecules and two VF4 sheets oriented in the (0, 0, 1) direction. In each VF4 sheet, there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of V–F bond distances ranging from 1.93–1.97 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 22–45°. There are a spread of V–F bond distances ranging from 1.91–2.05 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms.