cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1266319
title: Materials Data on Sm3Re2O9 by Materials Project

description: Sm3Re2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.65 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.87 Å. In the third Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.72 Å. There are two inequivalent Re+4.50+ sites. In the first Re+4.50+ site, Re+4.50+ is bonded to six O2- atoms to form edge-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.89–2.06 Å. In the second Re+4.50+ site, Re+4.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.92–1.95 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sm3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Sm3+ and one Re+4.50+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sm3+ and one Re+4.50+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sm3+ and one Re+4.50+ atom. In the fifth O2- site, O2- is bonded to three Sm3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the sixth O2- site, O2- is bonded to three Sm3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Sm3+ and two equivalent Re+4.50+ atoms. In the eighth O2- site, O2- is bonded to three Sm3+ and one Re+4.50+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm3+ and one Re+4.50+ atom.
DOI: 10.17188/1266321
title: Materials Data on ZnCdC4(SN)4 by Materials Project

description: ZnCd(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cd–S bond lengths are 2.60 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Cd2+ and one C4+ atom.
DOI: 10.17188/1266322
title: Materials Data on H13S2N3O8 by Materials Project

description: (NH4)3H(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of twelve ammonium molecules and four sulfate, hydrogen, compd. with sulfuric acid (1:1) molecules.
DOI: 10.17188/1266324
title: Materials Data on Zn(InS2)2 by Materials Project

description: ZnIn2S4 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ZnIn2S4 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three shorter (2.32 Å) and one longer (2.69 Å) Zn–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three equivalent ZnS4 tetrahedra, corners with three equivalent InS4 tetrahedra, and edges with six equivalent InS6 octahedra. There are three shorter (2.59 Å) and three longer (2.74 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with six equivalent InS4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are one shorter (2.46 Å) and three longer (2.51 Å) In–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In3+ atoms. In the third S2- site, S2- is bonded to one Zn2+ and three equivalent In3+ atoms to form distorted corner-sharing SZnIn3 tetrahedra. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four In3+ atoms.
DOI: 10.17188/1266325
title: Materials Data on Nb6Co16Si7 by Materials Project

description: Nb6Co16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.85 Å. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are one shorter (2.30 Å) and three longer (2.47 Å) Co–Si bond lengths. In the second Co1+ site, Co1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.29 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Nb2+ and eight Co1+ atoms to form a mixture of corner and face-sharing SiNb4Co8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Co1+ atoms.
DOI: 10.17188/1266326
title: Materials Data on Cr6Si7Ni16 by Materials Project

description: Cr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Cr–Si bond lengths are 2.85 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.26 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.44 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Cr2+ and eight Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCr4Ni8 cuboctahedra.
DOI: 10.17188/1266329
title: Materials Data on GaN5O14 by Materials Project

description: Ga(NO3)4NO2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two hydroxylamine, n-hydroxy- molecules and two Ga(NO3)4 clusters. In each Ga(NO3)4 cluster, Ga3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ga–O bond distances ranging from 1.92–2.31 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.35 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.34 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Ga3+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Ga3+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.
DOI: 10.17188/1266330
title: Materials Data on Zr3P3Pd4 by Materials Project

description: Zr3Pd4P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to nine Pd and four P atoms. There are a spread of Zr–Pd bond distances ranging from 2.93–3.22 Å. There are two shorter (2.73 Å) and two longer (2.84 Å) Zr–P bond lengths. In the second Zr site, Zr is bonded in a 11-coordinate geometry to six Pd and five P atoms. There are a spread of Zr–Pd bond distances ranging from 2.95–3.07 Å. There are two shorter (2.71 Å) and three longer (2.81 Å) Zr–P bond lengths. In the third Zr site, Zr is bonded in a 5-coordinate geometry to six Pd and five P atoms. There are a spread of Zr–Pd bond distances ranging from 2.99–3.14 Å. There are a spread of Zr–P bond distances ranging from 2.73–2.76 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded to six Zr, three Pd, and three P atoms to form distorted PdZr6P3Pd3 cuboctahedra that share corners with five PdZr6P4Pd2 cuboctahedra, edges with four PdZr6P3Pd3 cuboctahedra, and faces with eight PdZr6P3Pd3 cuboctahedra. There are two shorter (2.86 Å) and one longer (2.98 Å) Pd–Pd bond lengths. There are one shorter (2.44 Å) and two longer (2.46 Å) Pd–P bond lengths. In the second Pd site, Pd is bonded to six Zr, two equivalent Pd, and four P atoms to form a mixture of distorted corner, edge, and face-sharing PdZr6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 2.88 Å. There are a spread of Pd–P bond distances ranging from 2.49–2.61 Å. In the third Pd site, Pd is bonded to five Zr, four Pd, and three P atoms to form a mixture of distorted corner and face-sharing PdZr5P3Pd4 cuboctahedra. Both Pd–Pd bond lengths are 2.84 Å. There are a spread of Pd–P bond distances ranging from 2.50–2.55 Å. In the fourth Pd site, Pd is bonded in a 12-coordinate geometry to four Zr, five Pd, and three P atoms. All Pd–P bond lengths are 2.52 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Zr and four Pd atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Zr and four Pd atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Zr and five Pd atoms.
DOI: 10.17188/1266331
title: Materials Data on Rb4Zr3Te16 by Materials Project

description: Rb4Zr3Te16 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve Te+0.88- atoms. There are a spread of Rb–Te bond distances ranging from 3.91–4.46 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to ten Te+0.88- atoms. There are a spread of Rb–Te bond distances ranging from 3.68–4.40 Å. There are two inequivalent Zr+3.33+ sites. In the first Zr+3.33+ site, Zr+3.33+ is bonded in a 8-coordinate geometry to eight Te+0.88- atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.14 Å. In the second Zr+3.33+ site, Zr+3.33+ is bonded in a distorted hexagonal bipyramidal geometry to eight Te+0.88- atoms. There are a spread of Zr–Te bond distances ranging from 2.96–3.03 Å. There are eight inequivalent Te+0.88- sites. In the first Te+0.88- site, Te+0.88- is bonded in a 1-coordinate geometry to three Rb1+, one Zr+3.33+, and one Te+0.88- atom. The Te–Te bond length is 2.99 Å. In the second Te+0.88- site, Te+0.88- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two Zr+3.33+ atoms. In the third Te+0.88- site, Te+0.88- is bonded in a 3-coordinate geometry to three Rb1+, one Zr+3.33+, and one Te+0.88- atom. The Te–Te bond length is 2.99 Å. In the fourth Te+0.88- site, Te+0.88- is bonded in a 2-coordinate geometry to three Rb1+ and two Zr+3.33+ atoms. In the fifth Te+0.88- site, Te+0.88- is bonded in a 1-coordinate geometry to four Rb1+ and one Zr+3.33+ atom. In the sixth Te+0.88- site, Te+0.88- is bonded in a 2-coordinate geometry to two equivalent Rb1+, two equivalent Zr+3.33+, and one Te+0.88- atom. The Te–Te bond length is 2.82 Å. In the seventh Te+0.88- site, Te+0.88- is bonded in a 3-coordinate geometry to three Rb1+, one Zr+3.33+, and one Te+0.88- atom. In the eighth Te+0.88- site, Te+0.88- is bonded in a 6-coordinate geometry to two Rb1+, two Zr+3.33+, and two Te+0.88- atoms.
DOI: 10.17188/1266332
title: Materials Data on Fe2P2H4O9 by Materials Project

description: Fe2P2H4O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five PO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.05–2.23 Å. In the second Fe2+ site, Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five PO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.10–2.25 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–62°. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five FeO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four 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 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Fe2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Fe2+ and one P5+ atom. 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 distorted water-like geometry to one Fe2+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Fe2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Fe2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe2+ and one P5+ atom.
DOI: 10.17188/1266333
title: Materials Data on CsTiAsO5 by Materials Project

description: CsTiOAsO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 2.91–3.59 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 2.87–3.36 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–37°. There are a spread of Ti–O bond distances ranging from 1.77–2.16 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with four AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–37°. There are a spread of Ti–O bond distances ranging from 1.82–2.10 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is one shorter (1.70 Å) and three longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of As–O bond distances ranging from 1.72–1.74 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Ti4+, and one As5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Ti4+, and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cs1+ and two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+ and two Ti4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Ti4+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Ti4+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Ti4+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Cs1+, one Ti4+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Cs1+, one Ti4+, and one As5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Cs1+, one Ti4+, and one As5+ atom.
DOI: 10.17188/1266335
title: Materials Data on Rb3(FeSe2)2 by Materials Project

description: Rb3(FeSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Se2- atoms to form RbSe6 octahedra that share corners with eight equivalent FeSe4 tetrahedra, edges with two equivalent FeSe4 tetrahedra, and faces with two equivalent RbSe6 octahedra. There are a spread of Rb–Se bond distances ranging from 3.39–3.54 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.39–4.02 Å. Fe+2.50+ is bonded to four Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent RbSe6 octahedra, an edgeedge with one RbSe6 octahedra, and edges with two equivalent FeSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–63°. There are a spread of Fe–Se bond distances ranging from 2.40–2.47 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Fe+2.50+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent Fe+2.50+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Fe+2.50+ atoms.
DOI: 10.17188/1266336
title: Materials Data on KAgCO3 by Materials Project

description: KAgCO3 crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.04 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 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 distorted single-bond geometry to five equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Ag1+, and one C4+ atom.
DOI: 10.17188/1266337
title: Materials Data on Tm2Ni12P7 by Materials Project

description: Tm2Ni12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent P3- atoms to form distorted TmP6 pentagonal pyramids that share corners with six equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with three equivalent NiP5 square pyramids, edges with nine NiP4 tetrahedra, and faces with two equivalent TmP6 pentagonal pyramids. All Tm–P bond lengths are 2.84 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent P3- atoms to form distorted TmP6 pentagonal pyramids that share corners with six equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with twelve NiP4 tetrahedra, and faces with two equivalent TmP6 pentagonal pyramids. All Tm–P bond lengths are 2.85 Å. There are four inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent TmP6 pentagonal pyramids, corners with two equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with three TmP6 pentagonal pyramids, edges with two equivalent NiP5 square pyramids, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.23–2.33 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four TmP6 pentagonal pyramids, corners with two equivalent NiP5 square pyramids, corners with ten NiP4 tetrahedra, an edgeedge with one TmP6 pentagonal pyramid, edges with four equivalent NiP5 square pyramids, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.15–2.31 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent TmP6 pentagonal pyramids, corners with four equivalent NiP5 square pyramids, corners with ten NiP4 tetrahedra, edges with three TmP6 pentagonal pyramids, an edgeedge with one NiP5 square pyramid, and edges with four NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.24–2.33 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded to five P3- atoms to form distorted NiP5 square pyramids that share corners with four TmP6 pentagonal pyramids, corners with four equivalent NiP5 square pyramids, corners with eight NiP4 tetrahedra, an edgeedge with one TmP6 pentagonal pyramid, edges with four equivalent NiP5 square pyramids, and edges with seven NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.54 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 3-coordinate geometry to nine Ni+1.25+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Ni+1.25+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Ni+1.25+ atoms.