cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1281713
title: Materials Data on Hf2InNi2 by Materials Project

description: Hf2Ni2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.65 Å) and two longer (2.67 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 3.10 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.65 Å) and four longer (2.70 Å) Hf–Ni bond lengths. All Hf–In bond lengths are 3.14 Å. Ni is bonded in a 6-coordinate geometry to six Hf, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.55 Å. Both Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to eight Hf, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.27 Å.
DOI: 10.17188/1281715
title: Materials Data on Pr5Ga3 by Materials Project

description: Pr5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.14–3.42 Å. In the second Pr site, Pr is bonded to five Ga atoms to form distorted corner-sharing PrGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.22 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Pr and one Ga atom. The Ga–Ga bond length is 2.67 Å.
DOI: 10.17188/1281716
title: Materials Data on K2Ti2(PO4)3 by Materials Project

description: K2Ti2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.92–3.33 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.24 Å. There are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.98 Å) and three longer (2.01 Å) Ti–O bond length. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.00 Å) and three longer (2.01 Å) Ti–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 14–46°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Ti+3.50+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to two K1+, one Ti+3.50+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ti+3.50+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three K1+, one Ti+3.50+, and one P5+ atom.
DOI: 10.17188/1281717
title: Materials Data on Nd5In11Ni6 by Materials Project

description: Nd5Ni6In11 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.88 Å) and two longer (3.20 Å) Nd–Ni bond lengths. There are a spread of Nd–In bond distances ranging from 3.24–3.54 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to eight equivalent Ni and ten In atoms. All Nd–Ni bond lengths are 3.23 Å. There are a spread of Nd–In bond distances ranging from 3.29–3.64 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.75 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.44 Å. There are a spread of Ni–In bond distances ranging from 2.61–2.83 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to five Nd, two equivalent Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ni, and six In atoms. There are two shorter (3.05 Å) and two longer (3.23 Å) In–In bond lengths. In the third In site, In is bonded to five Nd, five Ni, and two equivalent In atoms to form a mixture of distorted face and corner-sharing InNd5In2Ni5 cuboctahedra. In the fourth In site, In is bonded in a distorted water-like geometry to four Nd, two equivalent Ni, and six In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent In atoms.
DOI: 10.17188/1281718
title: Materials Data on Ho6Mn23 by Materials Project

description: Ho6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.94–3.06 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Ho and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.47–2.60 Å. In the third Mn site, Mn is bonded to four equivalent Ho and eight Mn atoms to form a mixture of face and corner-sharing MnHo4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.63 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Ho and ten Mn atoms. All Mn–Mn bond lengths are 2.93 Å.
DOI: 10.17188/1281719
title: Materials Data on Yb6Fe23 by Materials Project

description: Yb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.86–3.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Yb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.61 Å. In the third Fe site, Fe is bonded to four equivalent Yb and eight Fe atoms to form a mixture of corner and face-sharing FeYb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Yb and ten Fe atoms. All Fe–Fe bond lengths are 2.87 Å.
DOI: 10.17188/1281720
title: Materials Data on U3Se5 by Materials Project

description: U3Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.93–3.13 Å. In the second U+3.33+ site, U+3.33+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.78–2.96 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four U+3.33+ atoms to form distorted SeU4 trigonal pyramids that share corners with six SeU5 square pyramids, corners with two equivalent SeU5 trigonal bipyramids, corners with six equivalent SeU4 trigonal pyramids, edges with three SeU5 square pyramids, edges with two equivalent SeU5 trigonal bipyramids, and an edgeedge with one SeU4 trigonal pyramid. In the second Se2- site, Se2- is bonded to five U+3.33+ atoms to form distorted SeU5 trigonal bipyramids that share corners with six SeU5 square pyramids, corners with four equivalent SeU5 trigonal bipyramids, corners with four equivalent SeU4 trigonal pyramids, edges with six SeU5 square pyramids, and edges with four equivalent SeU4 trigonal pyramids. In the third Se2- site, Se2- is bonded to five U+3.33+ atoms to form SeU5 square pyramids that share corners with four equivalent SeU5 square pyramids, corners with five equivalent SeU5 trigonal bipyramids, corners with eight equivalent SeU4 trigonal pyramids, edges with three SeU5 square pyramids, edges with two equivalent SeU5 trigonal bipyramids, edges with two equivalent SeU4 trigonal pyramids, and a faceface with one SeU5 square pyramid. In the fourth Se2- site, Se2- is bonded to five U+3.33+ atoms to form distorted SeU5 square pyramids that share corners with eight SeU5 square pyramids, a cornercorner with one SeU5 trigonal bipyramid, corners with four equivalent SeU4 trigonal pyramids, an edgeedge with one SeU5 square pyramid, edges with four equivalent SeU5 trigonal bipyramids, edges with four equivalent SeU4 trigonal pyramids, and a faceface with one SeU5 square pyramid.
DOI: 10.17188/1281721
title: Materials Data on U3Ga5 by Materials Project

description: U3Ga5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of U–Ga bond distances ranging from 2.92–3.29 Å. In the second U site, U is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of U–Ga bond distances ranging from 2.98–3.17 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five U and four Ga atoms. There are two shorter (2.78 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six U and three Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six U and three Ga atoms.
DOI: 10.17188/1281722
title: Materials Data on NbPd3 by Materials Project

description: NbPd3 is beta Cu3Ti-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to twelve Pd atoms to form NbPd12 cuboctahedra that share corners with three NbPd12 cuboctahedra, corners with ten PdNb4Pd8 cuboctahedra, edges with seven NbPd12 cuboctahedra, edges with fourteen PdNb4Pd8 cuboctahedra, faces with five NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. There are a spread of Nb–Pd bond distances ranging from 2.75–2.88 Å. In the second Nb site, Nb is bonded to twelve Pd atoms to form NbPd12 cuboctahedra that share corners with four NbPd12 cuboctahedra, corners with four equivalent PdNb4Pd8 cuboctahedra, edges with eight NbPd12 cuboctahedra, edges with sixteen PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. There are a spread of Nb–Pd bond distances ranging from 2.78–2.84 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded to four Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with two equivalent NbPd12 cuboctahedra, corners with thirteen PdNb4Pd8 cuboctahedra, edges with seven NbPd12 cuboctahedra, edges with eleven PdNb4Pd8 cuboctahedra, faces with four NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.78–2.86 Å. In the second Pd site, Pd is bonded to four Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve PdNb4Pd8 cuboctahedra, edges with eight NbPd12 cuboctahedra, edges with fourteen PdNb4Pd8 cuboctahedra, faces with four NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.78–2.87 Å. In the third Pd site, Pd is bonded to four Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with six PdNb4Pd8 cuboctahedra, corners with eight NbPd12 cuboctahedra, edges with eighteen PdNb4Pd8 cuboctahedra, faces with six NbPd12 cuboctahedra, and faces with eleven PdNb4Pd8 cuboctahedra. In the fourth Pd site, Pd is bonded in a distorted see-saw-like geometry to four Nb and eight Pd atoms.
DOI: 10.17188/1281723
title: Materials Data on Nb5Ni by Materials Project

description: Nb5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted trigonal non-coplanar geometry to six equivalent Nb and three equivalent Ni atoms. There are three shorter (2.72 Å) and three longer (3.09 Å) Nb–Nb bond lengths. All Nb–Ni bond lengths are 2.63 Å. In the second Nb site, Nb is bonded in a 4-coordinate geometry to twelve Nb and two equivalent Ni atoms. There are four shorter (3.11 Å) and four longer (3.18 Å) Nb–Nb bond lengths. Both Nb–Ni bond lengths are 3.10 Å. Ni is bonded to twelve Nb atoms to form distorted face-sharing NiNb12 cuboctahedra.
DOI: 10.17188/1281724
title: Materials Data on EuZn13 by Materials Project

description: EuZn13 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twenty-four Zn atoms. All Eu–Zn bond lengths are 3.54 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–2.98 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.98 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Eu and ten Zn atoms. The Zn–Zn bond length is 2.63 Å. In the fifth Zn site, Zn is bonded in a cuboctahedral geometry to twelve Zn atoms.
DOI: 10.17188/1281725
title: Materials Data on Gd2Ni7 by Materials Project

description: Gd2Ni7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.82–3.10 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.86–3.26 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the second Ni site, Ni is bonded to four Gd and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the third Ni site, Ni is bonded to four Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd5Ni7 cuboctahedra, edges with ten NiGd5Ni7 cuboctahedra, and faces with ten NiGd4Ni8 cuboctahedra. Both Ni–Gd bond lengths are 3.08 Å. There are two shorter (2.43 Å) and two longer (2.44 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and six Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the sixth Ni site, Ni is bonded to five Gd and seven Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiGd5Ni7 cuboctahedra. There are four shorter (2.47 Å) and one longer (2.50 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to four equivalent Gd and eight Ni atoms to form NiGd4Ni8 cuboctahedra that share corners with sixteen NiGd4Ni8 cuboctahedra, edges with ten NiGd4Ni8 cuboctahedra, and faces with ten NiGd5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.47 Å. In the eighth Ni site, Ni is bonded to six equivalent Gd and six equivalent Ni atoms to form NiGd6Ni6 cuboctahedra that share corners with twelve equivalent NiGd5Ni7 cuboctahedra, edges with six equivalent NiGd6Ni6 cuboctahedra, and faces with eighteen equivalent NiGd5Ni7 cuboctahedra.
DOI: 10.17188/1281726
title: Materials Data on Ni3Sn2 by Materials Project

description: Ni3Sn2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to six equivalent Ni and five Sn atoms. There are four shorter (2.65 Å) and two longer (2.72 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.50–2.61 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are one shorter (2.56 Å) and one longer (2.66 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.61–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight Ni and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ni atoms.
DOI: 10.17188/1281727
title: Materials Data on Nd(Sn2Rh)2 by Materials Project

description: NdRh2Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to seven Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.20–3.38 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.84 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.71–2.89 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Nd and three equivalent Rh atoms. In the second Sn site, Sn is bonded to four Rh atoms to form a mixture of distorted edge and corner-sharing SnRh4 tetrahedra. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Nd and four Rh atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Rh atoms.
DOI: 10.17188/1281728
title: Materials Data on Th2Cu(PO4)3 by Materials Project

description: CuTh2(PO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.28–2.67 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Th4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Th4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Th4+, one Cu1+, and one P5+ atom.
DOI: 10.17188/1281730
title: Materials Data on Sr2Pb3 by Materials Project

description: Sr2Pb3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to ten Pb atoms. There are a spread of Sr–Pb bond distances ranging from 3.44–3.99 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Sr and three Pb atoms. There are one shorter (3.07 Å) and two longer (3.31 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to eight equivalent Sr and four equivalent Pb atoms to form a mixture of face and corner-sharing PbSr8Pb4 cuboctahedra.
DOI: 10.17188/1281731
title: Materials Data on PrTlPd by Materials Project

description: PrPdTl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to two equivalent Pr, five Pd, and three equivalent Tl atoms. Both Pr–Pr bond lengths are 3.24 Å. There are four shorter (3.32 Å) and one longer (3.48 Å) Pr–Pd bond lengths. There are one shorter (3.02 Å) and two longer (3.17 Å) Pr–Tl bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Pr and three equivalent Tl atoms. All Pd–Tl bond lengths are 2.73 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Pr atoms. Tl is bonded in a 6-coordinate geometry to three equivalent Pr and one Pd atom.
DOI: 10.17188/1281732
title: Materials Data on ZrRh by Materials Project

description: ZrRh is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Rh atoms. There are a spread of Zr–Rh bond distances ranging from 2.64–2.93 Å. Rh is bonded in a 7-coordinate geometry to seven equivalent Zr atoms.
DOI: 10.17188/1281733
title: Materials Data on VSnRh2 by Materials Project

description: VRh2Sn is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to eight equivalent Rh and four equivalent Sn atoms to form VSn4Rh8 cuboctahedra that share corners with four equivalent VSn4Rh8 cuboctahedra, corners with eight equivalent SnV4Rh8 cuboctahedra, edges with eight equivalent VSn4Rh8 cuboctahedra, faces with four equivalent VSn4Rh8 cuboctahedra, and faces with six equivalent SnV4Rh8 cuboctahedra. All V–Rh bond lengths are 2.76 Å. All V–Sn bond lengths are 2.90 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.76 Å. Sn is bonded to four equivalent V and eight equivalent Rh atoms to form SnV4Rh8 cuboctahedra that share corners with four equivalent SnV4Rh8 cuboctahedra, corners with eight equivalent VSn4Rh8 cuboctahedra, edges with eight equivalent SnV4Rh8 cuboctahedra, faces with four equivalent SnV4Rh8 cuboctahedra, and faces with six equivalent VSn4Rh8 cuboctahedra.