cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1276949
title: Materials Data on Y3Ni2 by Materials Project

description: Ni2Y3 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to six Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.79–3.66 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.73–3.40 Å. In the third Y site, Y is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.79–3.42 Å. In the fourth Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Y–Ni bond lengths. In the fifth Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.73 Å) and two longer (3.03 Å) Y–Ni bond lengths. In the sixth Y site, Y is bonded in a 6-coordinate geometry to six Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.86–3.01 Å. In the seventh Y site, Y is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.76–2.94 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to eight Y and one Ni atom. The Ni–Ni bond length is 2.62 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to eight Y and one Ni atom. The Ni–Ni bond length is 2.50 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Y and two Ni atoms. The Ni–Ni bond length is 2.52 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to seven Y and two Ni atoms.
DOI: 10.17188/1276950
title: Materials Data on Ce3Bi4Pd3 by Materials Project

description: Ce3Pd3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pd and eight equivalent Bi atoms. All Ce–Pd bond lengths are 3.09 Å. There are four shorter (3.47 Å) and four longer (3.51 Å) Ce–Bi bond lengths. Pd is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.83 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.
DOI: 10.17188/1276951
title: Materials Data on CsNb4Cl11 by Materials Project

description: CsNb4Cl11 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.65–3.86 Å. There are two inequivalent Nb+2.50+ sites. In the first Nb+2.50+ site, Nb+2.50+ is bonded to six Cl1- atoms to form a mixture of distorted edge and face-sharing NbCl6 octahedra. There are a spread of Nb–Cl bond distances ranging from 2.44–2.64 Å. In the second Nb+2.50+ site, Nb+2.50+ is bonded to six Cl1- atoms to form edge-sharing NbCl6 octahedra. There are a spread of Nb–Cl bond distances ranging from 2.51–2.60 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Cs1+ and two equivalent Nb+2.50+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Cs1+ and two Nb+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Cs1+ and two equivalent Nb+2.50+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nb+2.50+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Nb+2.50+ atoms.
DOI: 10.17188/1276952
title: Materials Data on Si2Ni7P5 by Materials Project

description: (Ni)3(Ni2SiP)2(P)3 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of twelve nickel molecules; twelve phosphine molecules; and two Ni2SiP sheets oriented in the (0, 0, 1) direction. In each Ni2SiP sheet, there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.58 Å. In the second Ni1+ site, Ni1+ is bonded in a 2-coordinate geometry to two equivalent Si4- atoms. There are one shorter (2.38 Å) and one longer (2.49 Å) Ni–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to six Ni1+ and one P+0.20+ atom. The Si–P bond length is 2.84 Å. P+0.20+ is bonded in a 1-coordinate geometry to one Si4- atom.
DOI: 10.17188/1276953
title: Materials Data on K3Ta2Ag3Se8 by Materials Project

description: K3Ta2Ag3Se8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.60 Å. In the second K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.50–3.80 Å. Ta5+ is bonded to four Se2- atoms to form TaSe4 tetrahedra that share edges with three AgSe4 tetrahedra. There are a spread of Ta–Se bond distances ranging from 2.42–2.46 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and edges with two equivalent TaSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.69 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with two equivalent AgSe4 tetrahedra and edges with two equivalent TaSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.66–2.72 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Ta5+, and one Ag1+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Ta5+, and two Ag1+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two K1+, one Ta5+, and two Ag1+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+, one Ta5+, and one Ag1+ atom.
DOI: 10.17188/1276954
title: Materials Data on La4Si4I3 by Materials Project

description: La4Si4I3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent La+2.75+ sites. In the first La+2.75+ site, La+2.75+ is bonded in a 10-coordinate geometry to nine Si2- and one I1- atom. There are a spread of La–Si bond distances ranging from 3.17–3.28 Å. The La–I bond length is 3.33 Å. In the second La+2.75+ site, La+2.75+ is bonded in a 9-coordinate geometry to six Si2- and three I1- atoms. There are a spread of La–Si bond distances ranging from 3.10–3.20 Å. There are one shorter (3.31 Å) and two longer (3.37 Å) La–I bond lengths. In the third La+2.75+ site, La+2.75+ is bonded in a 8-coordinate geometry to four Si2- and four I1- atoms. There are two shorter (3.10 Å) and two longer (3.14 Å) La–Si bond lengths. There are a spread of La–I bond distances ranging from 3.39–3.59 Å. In the fourth La+2.75+ site, La+2.75+ is bonded to five Si2- and three I1- atoms to form distorted face-sharing LaSi5I3 hexagonal bipyramids. There are a spread of La–Si bond distances ranging from 3.02–3.16 Å. There are two shorter (3.24 Å) and one longer (3.33 Å) La–I bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 9-coordinate geometry to six La+2.75+ and three Si2- atoms. There are one shorter (2.43 Å) and two longer (2.45 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to six La+2.75+ and three Si2- atoms. The Si–Si bond length is 2.44 Å. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to six La+2.75+ and two Si2- atoms. There are one shorter (2.39 Å) and one longer (2.46 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 8-coordinate geometry to six La+2.75+ and two Si2- atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four La+2.75+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three La+2.75+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to four La+2.75+ atoms.
DOI: 10.17188/1276955
title: Materials Data on CsZr6CI14 by Materials Project

description: CsZr6I14C crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Cs1+ is bonded to twelve I1- atoms to form distorted CsI12 cuboctahedra that share edges with four equivalent ZrCI4 square pyramids. There are a spread of Cs–I bond distances ranging from 3.95–4.50 Å. There are two inequivalent Zr+2.83+ sites. In the first Zr+2.83+ site, Zr+2.83+ is bonded in a 6-coordinate geometry to one C4- and five I1- atoms. The Zr–C bond length is 2.36 Å. There are a spread of Zr–I bond distances ranging from 2.88–3.29 Å. In the second Zr+2.83+ site, Zr+2.83+ is bonded to one C4- and four I1- atoms to form distorted ZrCI4 square pyramids that share a cornercorner with one ZrCI4 square pyramid and edges with two equivalent CsI12 cuboctahedra. The Zr–C bond length is 2.26 Å. All Zr–I bond lengths are 2.89 Å. C4- is bonded in an octahedral geometry to six Zr+2.83+ atoms. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Cs1+ and two Zr+2.83+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to one Cs1+ and two Zr+2.83+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Zr+2.83+ atoms. In the fourth I1- site, I1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zr+2.83+ atoms. In the fifth I1- site, I1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Zr+2.83+ atoms.
DOI: 10.17188/1276958
title: Materials Data on Ge8Pd21 by Materials Project

description: Ge8Pd21 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.79 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.96 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.64 Å. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to three Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.58 Å. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.53–2.84 Å. In the sixth Pd site, Pd is bonded in a distorted tetrahedral geometry to four equivalent Ge atoms. All Pd–Ge bond lengths are 2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms.
DOI: 10.17188/1276959
title: Materials Data on Eu(MnSb)2 by Materials Project

description: EuMn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Sb3- atoms to form EuSb6 octahedra that share corners with twelve equivalent MnSb4 tetrahedra, edges with six equivalent EuSb6 octahedra, and edges with six equivalent MnSb4 tetrahedra. All Eu–Sb bond lengths are 3.28 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with six equivalent EuSb6 octahedra, corners with six equivalent MnSb4 tetrahedra, edges with three equivalent EuSb6 octahedra, and edges with three equivalent MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–52°. There are three shorter (2.76 Å) and one longer (2.77 Å) Mn–Sb bond lengths. Sb3- is bonded to three equivalent Eu2+ and four equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing SbEu3Mn4 pentagonal bipyramids.
DOI: 10.17188/1276960
title: Materials Data on Sm13Cd58 by Materials Project

description: Sm13Cd58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to sixteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.39–3.58 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to thirteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.25–3.60 Å. In the third Sm site, Sm is bonded in a 7-coordinate geometry to fifteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.30–3.73 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to fourteen Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.15–3.90 Å. There are twelve inequivalent Cd sites. In the first Cd site, Cd is bonded in a 1-coordinate geometry to three Sm and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.83–3.38 Å. In the second Cd site, Cd is bonded in a body-centered cubic geometry to eight Cd atoms. There are two shorter (2.88 Å) and four longer (2.95 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded to two equivalent Sm and ten Cd atoms to form face-sharing CdSm2Cd10 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.89–3.16 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to four Sm and six Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.86–3.08 Å. In the fifth Cd site, Cd is bonded in a 11-coordinate geometry to five Sm and six equivalent Cd atoms. All Cd–Cd bond lengths are 2.94 Å. In the sixth Cd site, Cd is bonded in a 12-coordinate geometry to four Sm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.86–3.19 Å. In the seventh Cd site, Cd is bonded to three equivalent Sm and nine Cd atoms to form face-sharing CdSm3Cd9 cuboctahedra. All Cd–Cd bond lengths are 2.94 Å. In the eighth Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Cd atoms. In the ninth Cd site, Cd is bonded in a 10-coordinate geometry to four Sm and six Cd atoms. There are two shorter (2.90 Å) and one longer (2.94 Å) Cd–Cd bond lengths. In the tenth Cd site, Cd is bonded in a 9-coordinate geometry to three Sm and six Cd atoms. There are two shorter (2.89 Å) and two longer (3.15 Å) Cd–Cd bond lengths. In the eleventh Cd site, Cd is bonded in a 11-coordinate geometry to four Sm and seven Cd atoms. There are one shorter (3.34 Å) and one longer (3.42 Å) Cd–Cd bond lengths. In the twelfth Cd site, Cd is bonded in a 12-coordinate geometry to three Sm and seven Cd atoms.
DOI: 10.17188/1276961
title: Materials Data on La8Ni4Br7 by Materials Project

description: La8Ni4Br7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to one Ni and six Br atoms. The La–Ni bond length is 3.29 Å. There are a spread of La–Br bond distances ranging from 3.09–3.61 Å. In the second La site, La is bonded in a 7-coordinate geometry to four equivalent Ni and three Br atoms. There are two shorter (2.88 Å) and two longer (3.01 Å) La–Ni bond lengths. There are one shorter (3.15 Å) and two longer (3.39 Å) La–Br bond lengths. In the third La site, La is bonded in a 7-coordinate geometry to three Ni and four Br atoms. There are two shorter (2.77 Å) and one longer (2.99 Å) La–Ni bond lengths. There are a spread of La–Br bond distances ranging from 3.12–3.29 Å. In the fourth La site, La is bonded to three Ni and four Br atoms to form distorted face-sharing LaNi3Br4 pentagonal bipyramids. All La–Ni bond lengths are 2.79 Å. There are two shorter (3.30 Å) and two longer (3.35 Å) La–Br bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La and three Ni atoms. There are one shorter (2.54 Å) and two longer (2.74 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to five La and two equivalent Ni atoms. There are four inequivalent Br sites. In the first Br site, Br is bonded to five La atoms to form a mixture of distorted corner and edge-sharing BrLa5 trigonal bipyramids. In the second Br site, Br is bonded in a 4-coordinate geometry to four La atoms. In the third Br site, Br is bonded in a 6-coordinate geometry to six La atoms. In the fourth Br site, Br is bonded to five La atoms to form a mixture of distorted corner and edge-sharing BrLa5 trigonal bipyramids.
DOI: 10.17188/1276962
title: Materials Data on Ce4Al23Ni6 by Materials Project

description: Ce4Ni6Al23 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Ce–Ni bond lengths are 3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.06–3.41 Å. In the second Ce site, Ce is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Ce–Ni bond lengths are 3.29 Å. There are a spread of Ce–Al bond distances ranging from 3.07–3.38 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.37–2.53 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.42–2.81 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ce and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.39–2.55 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Ce, two Ni, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded in a distorted trigonal planar geometry to three Ni and two Al atoms. There are one shorter (2.72 Å) and one longer (2.73 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Ce and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.88–3.19 Å. In the fourth Al site, Al is bonded to two Ce, two equivalent Ni, and eight Al atoms to form distorted face-sharing AlCe2Al8Ni2 cuboctahedra. There are two shorter (2.74 Å) and one longer (2.84 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 3-coordinate geometry to one Ce, three equivalent Ni, and six Al atoms. There are two shorter (2.62 Å) and one longer (2.66 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Ni atoms. In the seventh Al site, Al is bonded in a distorted bent 150 degrees geometry to three Ce, two Ni, and three Al atoms. In the eighth Al site, Al is bonded in a distorted single-bond geometry to three Ce, one Ni, and four Al atoms. Both Al–Al bond lengths are 2.91 Å. In the ninth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ce, three Ni, and one Al atom. In the tenth Al site, Al is bonded in a 2-coordinate geometry to three Ce, two equivalent Ni, and one Al atom. In the eleventh Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ce and six Al atoms. In the twelfth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Ce, three Ni, and one Al atom.
DOI: 10.17188/1276963
title: Materials Data on Li7VN4 by Materials Project

description: Li7VN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent VN4 tetrahedra, corners with twelve LiN4 tetrahedra, and edges with six LiN4 tetrahedra. There are two shorter (2.11 Å) and two longer (2.37 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with two equivalent VN4 tetrahedra, corners with fourteen LiN4 tetrahedra, an edgeedge with one VN4 tetrahedra, and edges with five LiN4 tetrahedra. There are two shorter (2.08 Å) and two longer (2.14 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with sixteen LiN4 tetrahedra, edges with two equivalent VN4 tetrahedra, and edges with four equivalent LiN4 tetrahedra. All Li–N bond lengths are 2.08 Å. V5+ is bonded to four equivalent N3- atoms to form VN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with six LiN4 tetrahedra. All V–N bond lengths are 1.84 Å. N3- is bonded in a distorted body-centered cubic geometry to seven Li1+ and one V5+ atom.
DOI: 10.17188/1276964
title: Materials Data on Ce(Ni5P2)2 by Materials Project

description: Ce(Ni5P2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to ten Ni and seven P atoms. There are a spread of Ce–Ni bond distances ranging from 3.17–3.29 Å. There are a spread of Ce–P bond distances ranging from 2.97–3.15 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 120 degrees geometry to two equivalent Ce and two P atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.22 Å. In the third Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are one shorter (2.16 Å) and two longer (2.28 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.25–2.62 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.17 Å) and two longer (2.32 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.21 Å) and two longer (2.22 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.23 Å) and two longer (2.29 Å) Ni–P bond lengths. In the eighth Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ce and four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.44 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.20 Å) and two longer (2.31 Å) Ni–P bond lengths. In the tenth Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.26 Å. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to one Ce and eight Ni atoms. In the third P site, P is bonded in a 7-coordinate geometry to two equivalent Ce and seven Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms.