cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1190573
title: Materials Data on Tl2SiSe3 by Materials Project

description: Tl2SiSe3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.12–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.21–4.01 Å. Si4+ is bonded to four Se2- atoms to form edge-sharing SiSe4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.35 Å) Si–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five Tl1+ and one Si4+ atom. In the third Se2- site, Se2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Si4+ atoms.
DOI: 10.17188/1190574
title: Materials Data on Tl2GeSe3 by Materials Project

description: Tl2GeSe3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.13–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.21–4.06 Å. Ge4+ is bonded to four Se2- atoms to form edge-sharing GeSe4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.44 Å) Ge–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five Tl1+ and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a distorted L-shaped geometry to five Tl1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1190575
title: Materials Data on Cd3TeO6 by Materials Project

description: Cd3TeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.81 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Cd–O bond distances ranging from 2.23–2.43 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Te–O bond distances ranging from 1.95–1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Cd2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to three Cd2+ and one Te6+ atom.
DOI: 10.17188/1190576
title: Materials Data on Y3Si3Pd2 by Materials Project

description: Y3Pd2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four equivalent Pd and six Si atoms. There are a spread of Y–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Y–Si bond distances ranging from 3.01–3.11 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four equivalent Pd and five Si atoms. All Y–Pd bond lengths are 3.15 Å. There are a spread of Y–Si bond distances ranging from 3.00–3.10 Å. Pd is bonded in a 10-coordinate geometry to six Y and four Si atoms. There are a spread of Pd–Si bond distances ranging from 2.50–2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Pd atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to five Y, three equivalent Pd, and one Si atom. The Si–Si bond length is 2.48 Å.
DOI: 10.17188/1190577
title: Materials Data on Dy2Si5Rh3 by Materials Project

description: Dy2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Dy–Rh bond distances ranging from 3.09–3.39 Å. There are a spread of Dy–Si bond distances ranging from 2.97–3.20 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Dy and six Si atoms. There are four shorter (2.45 Å) and two longer (2.58 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Dy and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.34–2.43 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to four equivalent Dy, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Rh atoms.
DOI: 10.17188/1190578
title: Materials Data on Ba(AlS2)2 by Materials Project

description: BaAl2S4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.22 Å) and three longer (3.30 Å) Ba–S bond lengths. In the second Ba2+ site, Ba2+ is bonded to twelve S2- atoms to form BaS12 cuboctahedra that share corners with twelve equivalent AlS4 tetrahedra and edges with six equivalent AlS4 tetrahedra. There are six shorter (3.62 Å) and six longer (3.64 Å) Ba–S bond lengths. Al3+ is bonded to four S2- atoms to form AlS4 tetrahedra that share corners with two equivalent BaS12 cuboctahedra, corners with four equivalent AlS4 tetrahedra, and an edgeedge with one BaS12 cuboctahedra. There are a spread of Al–S bond distances ranging from 2.25–2.28 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two Ba2+ and two equivalent Al3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Ba2+ and two equivalent Al3+ atoms.
DOI: 10.17188/1190579
title: Materials Data on Th(PS3)2 by Materials Project

description: Th(PS3)2 crystallizes in the tetragonal P4_2/m space group. The structure is one-dimensional and consists of one Th(PS3)2 ribbon oriented in the (0, 0, 1) direction. Th4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.84 Å) and four longer (3.04 Å) Th–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.02 Å) and one longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Th4+ and one P4+ atom.
DOI: 10.17188/1190580
title: Materials Data on TiCr2 by Materials Project

description: TiCr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Cr atoms. All Ti–Ti bond lengths are 2.97 Å. All Ti–Cr bond lengths are 2.85 Å. Cr is bonded to six equivalent Ti and six equivalent Cr atoms to form a mixture of edge, corner, and face-sharing CrTi6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.43 Å.
DOI: 10.17188/1190581
title: Materials Data on Ca3UO6 by Materials Project

description: Ca3UO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two UO6 octahedra, corners with four equivalent CaO6 pentagonal pyramids, edges with two UO6 octahedra, and edges with four equivalent CaO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Ca–O bond distances ranging from 2.32–2.52 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent CaO6 pentagonal pyramids and edges with six equivalent CaO6 pentagonal pyramids. All U–O bond lengths are 2.10 Å. In the second U6+ site, U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent CaO6 pentagonal pyramids and edges with six equivalent CaO6 pentagonal pyramids. All U–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and one U6+ atom to form a mixture of distorted corner and edge-sharing OCa3U trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to three equivalent Ca2+ and one U6+ atom.
DOI: 10.17188/1190582
title: Materials Data on NdAlO3 by Materials Project

description: NdAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share corners with twelve equivalent NdO12 cuboctahedra, faces with six equivalent NdO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Nd–O bond lengths are 2.67 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Nd3+ and two equivalent Al3+ atoms.
DOI: 10.17188/1190583
title: Materials Data on Sm2Fe17 by Materials Project

description: Sm2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Sm–Fe bond distances ranging from 3.04–3.28 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form FeSm2Fe10 cuboctahedra that share corners with fourteen FeSm2Fe10 cuboctahedra, edges with six equivalent FeSm3Fe9 cuboctahedra, and faces with ten FeSm2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.44–2.61 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.76 Å. In the third Fe site, Fe is bonded to three equivalent Sm and nine Fe atoms to form a mixture of corner, edge, and face-sharing FeSm3Fe9 cuboctahedra. There are two shorter (2.49 Å) and one longer (2.65 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Sm and thirteen Fe atoms. The Fe–Fe bond length is 2.40 Å.
DOI: 10.17188/1190587
title: Materials Data on ZnAg(PO3)3 by Materials Project

description: ZnAg(PO3)3 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.77 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.09–2.15 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.05–2.19 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two ZnO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–46°. There is two shorter (1.50 Å) and two longer (1.62 Å) P–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+, one Zn2+, and one P5+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1190588
title: Materials Data on Cu15Si4 by Materials Project

description: Cu15Si4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cu+1.07+ sites. In the first Cu+1.07+ site, Cu+1.07+ is bonded in a 12-coordinate geometry to eight equivalent Cu+1.07+ and four equivalent Si4- atoms. There are four shorter (2.49 Å) and four longer (2.59 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.62 Å. In the second Cu+1.07+ site, Cu+1.07+ is bonded in a 9-coordinate geometry to six Cu+1.07+ and three equivalent Si4- atoms. There are two shorter (2.49 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are a spread of Cu–Si bond distances ranging from 2.43–2.58 Å. Si4- is bonded to twelve Cu+1.07+ atoms to form a mixture of face and edge-sharing SiCu12 cuboctahedra.
DOI: 10.17188/1190589
title: Materials Data on Lu2O3 by Materials Project

description: Lu2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Lu–O bond distances ranging from 2.19–2.28 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Lu–O bond lengths are 2.23 Å. O2- is bonded to four Lu3+ atoms to form a mixture of distorted edge and corner-sharing OLu4 trigonal pyramids.
DOI: 10.17188/1190590
title: Materials Data on RhPb2F7 by Materials Project

description: RhPb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Rh–F bond distances ranging from 2.00–2.04 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.42–3.07 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.38–2.89 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Rh3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and two equivalent Pb2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and three Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to one Rh3+ and one Pb2+ atom. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to three Pb2+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Rh3+ and two Pb2+ atoms.
DOI: 10.17188/1190591
title: Materials Data on Ni5Ge3 by Materials Project

description: Ni5Ge3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.66 Å. There are a spread of Ni–Ge bond distances ranging from 2.40–2.91 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.52–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.39–2.89 Å. In the third Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of corner and edge-sharing NiNi6Ge6 cuboctahedra. All Ni–Ni bond lengths are 2.56 Å. There are a spread of Ni–Ge bond distances ranging from 2.46–2.79 Å. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.60 Å. In the fifth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.58 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms.
DOI: 10.17188/1190592
title: Materials Data on Ga2Sn2S5 by Materials Project

description: Ga2Sn2S5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.32 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.33 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.66–3.15 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.67–3.16 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ga3+ and one Sn2+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ga3+ and one Sn2+ atom. In the third S2- site, S2- is bonded in a distorted water-like geometry to two Ga3+ and one Sn2+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ga3+ and two Sn2+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to one Ga3+ and three Sn2+ atoms.
DOI: 10.17188/1190593
title: Materials Data on Sr2InF7 by Materials Project

description: Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.73 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the seventh F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra.
DOI: 10.17188/1190594
title: Materials Data on CoP2 by Materials Project

description: CoP2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six P1- atoms to form CoP6 octahedra that share corners with eight equivalent CoP6 octahedra, corners with six PCo3P tetrahedra, and edges with two equivalent CoP6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. There are a spread of Co–P bond distances ranging from 2.20–2.29 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 73–77°. The P–P bond length is 2.23 Å. In the second P1- site, P1- is bonded to three equivalent Co2+ and one P1- atom to form distorted PCo3P tetrahedra that share corners with three equivalent CoP6 octahedra, corners with thirteen PCo3P tetrahedra, and an edgeedge with one PCo3P tetrahedra. The corner-sharing octahedra tilt angles range from 68–72°.