cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309196
title: Materials Data on AgHgPd2 by Materials Project

description: Pd2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Pd–Ag bond lengths are 2.83 Å. All Pd–Hg bond lengths are 2.83 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1309197
title: Materials Data on Pr3Sb4Au3 by Materials Project

description: Pr3Au3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to four equivalent Au1- and eight equivalent Sb+1.50- atoms. All Pr–Au bond lengths are 3.11 Å. There are four shorter (3.47 Å) and four longer (3.56 Å) Pr–Sb bond lengths. Au1- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Sb+1.50- atoms. All Au–Sb bond lengths are 2.86 Å. Sb+1.50- is bonded in a 3-coordinate geometry to six equivalent Pr3+ and three equivalent Au1- atoms.
DOI: 10.17188/1309198
title: Materials Data on PrBO3 by Materials Project

description: PrBO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.72 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one B3+ atom.
DOI: 10.17188/1309199
title: Materials Data on Pr2MgTl by Materials Project

description: MgPr2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. All Mg–Pr bond lengths are 3.40 Å. Pr is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Pr–Tl bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309200
title: Materials Data on Pr2ZnRu by Materials Project

description: Pr2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All Pr–Ru bond lengths are 3.14 Å. All Pr–Zn bond lengths are 3.14 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309201
title: Materials Data on ScAlIr2 by Materials Project

description: ScIr2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.71 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Ir–Al bond lengths are 2.71 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1309202
title: Materials Data on Pr2ZnIr by Materials Project

description: Pr2IrZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Zn atoms. All Pr–Ir bond lengths are 3.15 Å. All Pr–Zn bond lengths are 3.15 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309203
title: Materials Data on Pr2SnHg by Materials Project

description: Pr2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Pr–Hg bond lengths are 3.36 Å. All Pr–Sn bond lengths are 3.36 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309204
title: Materials Data on PuP3 by Materials Project

description: PuP3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu7+ is bonded in a 12-coordinate geometry to twelve equivalent P+2.33- atoms. There are six shorter (2.80 Å) and six longer (2.99 Å) Pu–P bond lengths. P+2.33- is bonded in a 6-coordinate geometry to four equivalent Pu7+ and two equivalent P+2.33- atoms. Both P–P bond lengths are 2.30 Å.
DOI: 10.17188/1309205
title: Materials Data on PrCrSe3 by Materials Project

description: PrCrSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Pr–Se bond distances ranging from 3.09–3.30 Å. Cr3+ is bonded to six Se2- atoms to form edge-sharing CrSe6 octahedra. There are a spread of Cr–Se bond distances ranging from 2.51–2.60 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Pr3+ and three equivalent Cr3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one Cr3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Pr3+ and two equivalent Cr3+ atoms.
DOI: 10.17188/1309206
title: Materials Data on Rb5SiHO5 by Materials Project

description: Rb5SiHO5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to two equivalent H1+ and five O2- atoms. Both Rb–H bond lengths are 3.03 Å. There are a spread of Rb–O bond distances ranging from 2.80–3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to two equivalent H1+ and six O2- atoms. There are one shorter (2.97 Å) and one longer (3.05 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.86–3.36 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.01 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.85 Å) and two longer (3.16 Å) Rb–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.68 Å) Si–O bond length. H1+ is bonded in a single-bond geometry to six Rb1+ and one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six Rb1+ and one Si4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to six Rb1+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to six Rb1+ and one Si4+ atom.
DOI: 10.17188/1309207
title: Materials Data on Pr2In8Pd by Materials Project

description: Pr2PdIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with eight equivalent PrIn12 cuboctahedra, edges with twelve InPr4In8 cuboctahedra, faces with five equivalent PrIn12 cuboctahedra, and faces with eight InPr4In8 cuboctahedra. There are four shorter (3.32 Å) and eight longer (3.36 Å) Pr–In bond lengths. Pd is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Pd–In bond lengths are 2.82 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent In atoms. Both In–In bond lengths are 3.30 Å. In the second In site, In is bonded to four equivalent Pr and eight In atoms to form distorted InPr4In8 cuboctahedra that share corners with eight equivalent InPr4In8 cuboctahedra, edges with four equivalent PrIn12 cuboctahedra, edges with eight equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with nine InPr4In8 cuboctahedra. All In–In bond lengths are 3.37 Å. In the third In site, In is bonded to four equivalent Pr and eight In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, edges with eight equivalent PrIn12 cuboctahedra, edges with eight equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with twelve InPr4In8 cuboctahedra. All In–In bond lengths are 3.36 Å.
DOI: 10.17188/1309208
title: Materials Data on Pr2CuRu by Materials Project

description: Pr2RuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Cu atoms. All Pr–Ru bond lengths are 3.10 Å. All Pr–Cu bond lengths are 3.10 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309209
title: Materials Data on PuAu3 by Materials Project

description: PuAu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded to twelve equivalent Au1- atoms to form a mixture of corner and face-sharing PuAu12 cuboctahedra. There are six shorter (3.10 Å) and six longer (3.19 Å) Pu–Au bond lengths. Au1- is bonded in a distorted see-saw-like geometry to four equivalent Pu3+ atoms.
DOI: 10.17188/1309210
title: Materials Data on Pr2TlCd by Materials Project

description: Pr2CdTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Pr–Cd bond lengths are 3.40 Å. All Pr–Tl bond lengths are 3.40 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pr atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1309211
title: Materials Data on Pr2CdCu2 by Materials Project

description: Pr2Cu2Cd crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.19 Å. There are two shorter (3.44 Å) and two longer (3.52 Å) Pr–Cd bond lengths. In the second Pr site, Pr is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are a spread of Pr–Cu bond distances ranging from 2.98–3.08 Å. There are two shorter (3.39 Å) and two longer (3.43 Å) Pr–Cd bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one Cd atom. There are one shorter (2.55 Å) and one longer (2.59 Å) Cu–Cu bond lengths. The Cu–Cd bond length is 2.99 Å. Cd is bonded in a 11-coordinate geometry to eight Pr, two equivalent Cu, and one Cd atom. The Cd–Cd bond length is 3.19 Å.
DOI: 10.17188/1309212
title: Materials Data on Pr2Ni12As7 by Materials Project

description: Pr2Ni12As7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to six equivalent As3- atoms to form distorted PrAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with twelve NiAs4 tetrahedra, and faces with two equivalent PrAs6 pentagonal pyramids. All Pr–As bond lengths are 3.05 Å. In the second Pr3+ site, Pr3+ is bonded to six equivalent As3- atoms to form distorted PrAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three equivalent NiAs5 square pyramids, edges with nine NiAs4 tetrahedra, and faces with two equivalent PrAs6 pentagonal pyramids. All Pr–As bond lengths are 3.05 Å. There are four inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent PrAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, edges with three PrAs6 pentagonal pyramids, an edgeedge with one NiAs5 square pyramid, and edges with four NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.40–2.47 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent PrAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three PrAs6 pentagonal pyramids, edges with two equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.37–2.40 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to five As3- atoms to form distorted NiAs5 square pyramids that share corners with four PrAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with eight NiAs4 tetrahedra, an edgeedge with one PrAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with seven NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.43–2.63 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with four PrAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, an edgeedge with one PrAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.26–2.41 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to nine Ni+1.25+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Pr3+ and seven Ni+1.25+ atoms. In the third As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Pr3+ and seven Ni+1.25+ atoms.
DOI: 10.17188/1309213
title: Materials Data on Ho2ZnOs by Materials Project

description: Ho2OsZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Zn atoms. All Ho–Os bond lengths are 2.99 Å. All Ho–Zn bond lengths are 2.99 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1309214
title: Materials Data on PuSnAu2 by Materials Project

description: PuAu2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pu–Au bond lengths are 3.08 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pu and four equivalent Sn atoms. All Au–Sn bond lengths are 3.08 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309215
title: Materials Data on ScAg(PS3)2 by Materials Project

description: ScAg(PS3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ScAg(PS3)2 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share edges with three equivalent AgS6 octahedra. All Sc–S bond lengths are 2.62 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent ScS6 octahedra. All Ag–S bond lengths are 2.83 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Sc3+, one Ag1+, and one P4+ atom.
DOI: 10.17188/1309216
title: Materials Data on Ho2ZnIn by Materials Project

description: Ho2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Ho–Zn bond lengths are 3.17 Å. All Ho–In bond lengths are 3.17 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1309217
title: Materials Data on PuPd3 by Materials Project

description: PuPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Pd atoms to form a mixture of corner, edge, and face-sharing PuPd12 cuboctahedra. All Pu–Pd bond lengths are 2.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Pu atoms to form a mixture of distorted corner and edge-sharing PdPu4 cuboctahedra. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Pu atoms.
DOI: 10.17188/1309218
title: Materials Data on Ca2TlPb by Materials Project

description: Ca2TlPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Tl and four equivalent Pb atoms. All Ca–Tl bond lengths are 3.40 Å. All Ca–Pb bond lengths are 3.40 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1309219
title: Materials Data on AcH3 by Materials Project

description: AcH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac3+ is bonded in a distorted body-centered cubic geometry to fourteen H1- atoms. There are eight shorter (2.51 Å) and six longer (2.90 Å) Ac–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Ac3+ atoms to form HAc4 tetrahedra that share corners with twelve equivalent HAc6 octahedra, corners with sixteen equivalent HAc4 tetrahedra, edges with six equivalent HAc4 tetrahedra, and faces with four equivalent HAc6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second H1- site, H1- is bonded to six equivalent Ac3+ atoms to form HAc6 octahedra that share corners with six equivalent HAc6 octahedra, corners with twenty-four equivalent HAc4 tetrahedra, edges with twelve equivalent HAc6 octahedra, and faces with eight equivalent HAc4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1309220
title: Materials Data on KLaSiSe4 by Materials Project

description: KLaSiSe4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.47–3.83 Å. La3+ is bonded to seven Se2- atoms to form distorted LaSe7 pentagonal bipyramids that share corners with two equivalent LaSe7 pentagonal bipyramids, a cornercorner with one SiSe4 tetrahedra, edges with two equivalent LaSe7 pentagonal bipyramids, and edges with three equivalent SiSe4 tetrahedra. There are a spread of La–Se bond distances ranging from 3.04–3.24 Å. Si4+ is bonded to four Se2- atoms to form SiSe4 tetrahedra that share a cornercorner with one LaSe7 pentagonal bipyramid and edges with three equivalent LaSe7 pentagonal bipyramids. There are a spread of Si–Se bond distances ranging from 2.26–2.30 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent K1+, one La3+, and one Si4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent La3+, and one Si4+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent La3+, and one Si4+ atom. In the fourth Se2- site, Se2- is bonded in a distorted see-saw-like geometry to one K1+, two equivalent La3+, and one Si4+ atom.
DOI: 10.17188/1309221
title: Materials Data on KNaNdTaO5 by Materials Project

description: KNaNdTaO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.91 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent TaO5 trigonal bipyramids. There are one shorter (2.29 Å) and four longer (2.33 Å) Na–O bond lengths. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.50 Å. Ta5+ is bonded to five O2- atoms to form distorted TaO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.86 Å) and four longer (1.98 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Ta5+ atom to form a mixture of distorted edge and corner-sharing OK4NaTa octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Nd3+, and one Ta5+ atom.
DOI: 10.17188/1309222
title: Materials Data on PrNiB4 by Materials Project

description: PrNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to sixteen B+1.50- atoms. There are a spread of Pr–B bond distances ranging from 2.85–2.93 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.86 Å) and eight longer (2.91 Å) Pr–B bond lengths. Ni3+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.12 Å) and four longer (2.24 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, one Ni3+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.78 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Ni3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.