cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1204923
title: Materials Data on Ti6O11 by Materials Project

description: Ti6O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ti+3.67+ sites. In the first Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. In the second Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 41–52°. There are a spread of Ti–O bond distances ranging from 1.98–2.06 Å. In the third Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–61°. There are a spread of Ti–O bond distances ranging from 1.90–2.14 Å. In the fourth Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of Ti–O bond distances ranging from 1.91–2.12 Å. In the fifth Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Ti–O bond distances ranging from 1.87–2.18 Å. In the sixth Ti+3.67+ site, Ti+3.67+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Ti–O bond distances ranging from 1.85–2.18 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.67+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Ti+3.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.67+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Ti+3.67+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Ti+3.67+ atoms. In the eighth O2- site, O2- is bonded to four Ti+3.67+ atoms to form distorted edge-sharing OTi4 trigonal pyramids. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.67+ atoms. In the tenth O2- site, O2- is bonded to four Ti+3.67+ atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the eleventh O2- site, O2- is bonded to four Ti+3.67+ atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids.
DOI: 10.17188/1204924
title: Materials Data on Mn4Al19 by Materials Project

description: Mn4Al19 is beta Plutonium-derived structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to twelve Al atoms to form distorted MnAl12 cuboctahedra that share corners with five equivalent MnAl12 cuboctahedra, a faceface with one MnAl12 cuboctahedra, and a faceface with one AlMn2Al10 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.37–2.95 Å. In the second Mn site, Mn is bonded in a 9-coordinate geometry to eleven Al atoms. There are a spread of Mn–Al bond distances ranging from 2.32–2.99 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three Mn and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.46–2.99 Å. In the second Al site, Al is bonded to two equivalent Mn and ten Al atoms to form distorted AlMn2Al10 cuboctahedra that share an edgeedge with one AlMn2Al10 cuboctahedra and faces with two equivalent MnAl12 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–2.94 Å. In the third Al site, Al is bonded in a distorted single-bond geometry to one Mn and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–2.92 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to three Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.99 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to three Mn and eleven Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–3.05 Å. In the sixth Al site, Al is bonded in a distorted single-bond geometry to one Mn and five Al atoms. The Al–Al bond length is 2.99 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to two equivalent Mn and ten Al atoms. All Al–Al bond lengths are 2.91 Å. In the eighth Al site, Al is bonded in a 2-coordinate geometry to three Mn and ten Al atoms. There are two shorter (2.86 Å) and one longer (3.02 Å) Al–Al bond lengths. In the ninth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and thirteen Al atoms. The Al–Al bond length is 3.01 Å.
DOI: 10.17188/1204925
title: Materials Data on TaS3 by Materials Project

description: TaS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TaS3 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.50–2.60 Å. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.47–2.90 Å. In the third Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.50–2.61 Å. There are nine inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to four Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. The S–S bond length is 2.12 Å. In the third S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. In the fourth S+1.67- site, S+1.67- is bonded in a distorted L-shaped geometry to two equivalent Ta5+ atoms. In the fifth S+1.67- site, S+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Ta5+ atoms. In the sixth S+1.67- site, S+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Ta5+ atoms. In the seventh S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. The S–S bond length is 2.08 Å. In the eighth S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to four Ta5+ atoms. In the ninth S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom.
DOI: 10.17188/1204926
title: Materials Data on MnTlCl3 by Materials Project

description: TlMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 12–16°. There are four shorter (2.55 Å) and two longer (2.56 Å) Mn–Cl bond lengths. Tl1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.28–3.99 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1204927
title: Materials Data on B5H11 by Materials Project

description: B5H11 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four B5H11 clusters. there are five inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a distorted tetrahedral geometry to four H+0.82+ atoms. There are a spread of B–H bond distances ranging from 1.20–1.44 Å. In the second B+1.80- site, B+1.80- is bonded in a distorted trigonal non-coplanar geometry to three H+0.82+ atoms. There are a spread of B–H bond distances ranging from 1.19–1.33 Å. In the third B+1.80- site, B+1.80- is bonded in a distorted bent 120 degrees geometry to two H+0.82+ atoms. There is one shorter (1.19 Å) and one longer (1.27 Å) B–H bond length. In the fourth B+1.80- site, B+1.80- is bonded in a distorted trigonal non-coplanar geometry to three H+0.82+ atoms. There are a spread of B–H bond distances ranging from 1.19–1.36 Å. In the fifth B+1.80- site, B+1.80- is bonded in a distorted trigonal non-coplanar geometry to three H+0.82+ atoms. There is two shorter (1.20 Å) and one longer (1.37 Å) B–H bond length. There are eleven inequivalent H+0.82+ sites. In the first H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B+1.80- atoms. In the second H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the third H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the fourth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the fifth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the sixth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the seventh H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B+1.80- atoms. In the eighth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the ninth H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B+1.80- atoms. In the tenth H+0.82+ site, H+0.82+ is bonded in a single-bond geometry to one B+1.80- atom. In the eleventh H+0.82+ site, H+0.82+ is bonded in an L-shaped geometry to two B+1.80- atoms.
DOI: 10.17188/1204928
title: Materials Data on DyAlNi by Materials Project

description: NiAlDy crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.86 Å) and one longer (2.89 Å) Dy–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.18 Å) Dy–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Ni–Al bond lengths are 2.72 Å. Al is bonded in a 12-coordinate geometry to six equivalent Dy, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.
DOI: 10.17188/1204929
title: Materials Data on TlClO4 by Materials Project

description: TlClO4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four thallium molecules and four ClO4 clusters. In each ClO4 cluster, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four equivalent O atoms.
DOI: 10.17188/1204930
title: Materials Data on Ta2Se8I by Materials Project

description: (TaSe4)2I crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ta+4.50+ sites. In the first Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.62 Å) and four longer (2.73 Å) Ta–Se bond lengths. In the second Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.65 Å) and four longer (2.70 Å) Ta–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ atoms. In the second Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ and one I1- atom. The Se–I bond length is 3.33 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Se1- atoms.
DOI: 10.17188/1204931
title: Materials Data on Tl2ZnI4 by Materials Project

description: Tl2ZnI4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Zn2+ is bonded to four I1- atoms to form ZnI4 tetrahedra that share corners with four TlI7 pentagonal bipyramids and edges with five TlI7 pentagonal bipyramids. There are a spread of Zn–I bond distances ranging from 2.64–2.66 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to seven I1- atoms to form distorted TlI7 pentagonal bipyramids that share corners with eight TlI7 pentagonal bipyramids, corners with three equivalent ZnI4 tetrahedra, edges with two equivalent TlI7 pentagonal bipyramids, edges with two equivalent ZnI4 tetrahedra, and faces with two equivalent TlI7 pentagonal bipyramids. There are a spread of Tl–I bond distances ranging from 3.51–3.77 Å. In the second Tl1+ site, Tl1+ is bonded to seven I1- atoms to form distorted TlI7 pentagonal bipyramids that share corners with eight TlI7 pentagonal bipyramids, a cornercorner with one ZnI4 tetrahedra, edges with two equivalent TlI7 pentagonal bipyramids, edges with three equivalent ZnI4 tetrahedra, and faces with two equivalent TlI7 pentagonal bipyramids. There are a spread of Tl–I bond distances ranging from 3.51–3.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Zn2+ and four Tl1+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Zn2+ and four Tl1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to one Zn2+ and three Tl1+ atoms. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to one Zn2+ and three Tl1+ atoms.
DOI: 10.17188/1204932
title: Materials Data on KPt2S3 by Materials Project

description: KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.
DOI: 10.17188/1204933
title: Materials Data on UCuP2 by Materials Project

description: UCuP2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.77 Å) and four longer (2.88 Å) U–P bond lengths. Cu2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.42 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent U4+ and four equivalent P3- atoms. All P–P bond lengths are 2.67 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu2+ atoms.
DOI: 10.17188/1204935
title: Materials Data on V5Sb4 by Materials Project

description: V5Sb4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All V–Sb bond lengths are 2.94 Å. In the second V+2.40+ site, V+2.40+ is bonded to five equivalent Sb3- atoms to form a mixture of corner and edge-sharing VSb5 square pyramids. There are a spread of V–Sb bond distances ranging from 2.68–2.72 Å. Sb3- is bonded in a 6-coordinate geometry to six V+2.40+ atoms.
DOI: 10.17188/1204936
title: Materials Data on TbP5O14 by Materials Project

description: TbP5O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.49 Å. There are five inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.64 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.58 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.64 Å) P–O bond length. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.59 Å. In the fifth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.49 Å) and two longer (1.62 Å) P–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Tb3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Tb3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Tb3+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Tb3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one P5+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb3+ and one P5+ atom.
DOI: 10.17188/1204937
title: Materials Data on Li2CO3 by Materials Project

description: Li2CO3 is Clathrate-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.04 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.31 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one C4+ atom. In the second O2- site, O2- is bonded to three equivalent Li1+ and one C4+ atom to form a mixture of distorted corner and edge-sharing OLi3C tetrahedra.
DOI: 10.17188/1204938
title: Materials Data on V(NiP4)4 by Materials Project

description: V(NiP4)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V2+ is bonded in a 8-coordinate geometry to eight P+0.50- atoms. There are a spread of V–P bond distances ranging from 2.41–2.49 Å. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to six P+0.50- atoms to form NiP6 octahedra that share corners with six NiP6 octahedra, corners with four PNi3P tetrahedra, and an edgeedge with one NiP6 octahedra. The corner-sharing octahedra tilt angles range from 57–66°. There are a spread of Ni–P bond distances ranging from 2.23–2.36 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to six P+0.50- atoms to form NiP6 octahedra that share corners with four equivalent NiP6 octahedra and corners with three PNi2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 57–64°. There are a spread of Ni–P bond distances ranging from 2.25–2.32 Å. There are eight inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to one V2+, one Ni+1.50+, and two P+0.50- atoms. There are one shorter (2.24 Å) and one longer (2.26 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded to two Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share a cornercorner with one NiP6 octahedra and corners with nine PNi3P tetrahedra. The corner-sharing octahedral tilt angles are 73°. The P–P bond length is 2.24 Å. In the third P+0.50- site, P+0.50- is bonded to three Ni+1.50+ and one P+0.50- atom to form distorted PNi3P tetrahedra that share corners with two equivalent NiP6 octahedra, corners with ten PNi2P2 tetrahedra, and an edgeedge with one PNi3P tetrahedra. The corner-sharing octahedra tilt angles range from 73–77°. The P–P bond length is 2.21 Å. In the fourth P+0.50- site, P+0.50- is bonded to two equivalent Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share corners with three NiP6 octahedra and corners with twelve PNi2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 70–82°. The P–P bond length is 2.27 Å. In the fifth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to one V2+, one Ni+1.50+, and two P+0.50- atoms. The P–P bond length is 2.26 Å. In the sixth P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to one V2+ and three P+0.50- atoms. The P–P bond length is 2.26 Å. In the seventh P+0.50- site, P+0.50- is bonded to two Ni+1.50+ and two P+0.50- atoms to form distorted PNi2P2 tetrahedra that share a cornercorner with one NiP6 octahedra and corners with nine PNi2P2 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The P–P bond length is 2.24 Å. In the eighth P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to one V2+, one Ni+1.50+, and two P+0.50- atoms.