cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197059
title: Materials Data on Mg6Cu16Si7 by Materials Project

description: Mg6Cu16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Mg–Si bond lengths are 2.97 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing CuSi4 tetrahedra. There are one shorter (2.42 Å) and three longer (2.56 Å) Cu–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent Mg2+ and eight Cu1+ atoms to form a mixture of corner and face-sharing SiMg4Cu8 cuboctahedra. In the second Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Cu1+ atoms.
DOI: 10.17188/1197060
title: Materials Data on K5Pb24 by Materials Project

description: K5Pb24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to one K and twelve Pb atoms. The K–K bond length is 3.96 Å. There are a spread of K–Pb bond distances ranging from 3.58–3.98 Å. In the second K site, K is bonded in a 12-coordinate geometry to four equivalent K and twelve equivalent Pb atoms. All K–Pb bond lengths are 4.07 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted single-bond geometry to one K and five equivalent Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.19–3.65 Å. In the second Pb site, Pb is bonded in a 12-coordinate geometry to four K and eight Pb atoms. There are one shorter (3.39 Å) and two longer (3.54 Å) Pb–Pb bond lengths.
DOI: 10.17188/1197061
title: Materials Data on In2Cu2O5 by Materials Project

description: In2Cu2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.74 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.95–2.69 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 18–63°. There are a spread of In–O bond distances ranging from 2.17–2.29 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 18–63°. There are a spread of In–O bond distances ranging from 2.16–2.28 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Cu2+ and three In3+ atoms to form distorted OIn3Cu tetrahedra that share corners with six OIn3Cu tetrahedra, corners with six OIn2Cu2 trigonal pyramids, and an edgeedge with one OIn2Cu2 trigonal pyramid. In the second O2- site, O2- is bonded to one Cu2+ and three In3+ atoms to form distorted OIn3Cu tetrahedra that share corners with six OIn3Cu tetrahedra, corners with six OIn2Cu2 trigonal pyramids, and an edgeedge with one OIn2Cu2 trigonal pyramid. In the third O2- site, O2- is bonded to two Cu2+ and two equivalent In3+ atoms to form distorted OIn2Cu2 trigonal pyramids that share corners with six OIn3Cu tetrahedra, corners with two equivalent OIn2Cu2 trigonal pyramids, an edgeedge with one OIn3Cu tetrahedra, and an edgeedge with one OIn2Cu2 trigonal pyramid. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Cu2+ and two In3+ atoms. In the fifth O2- site, O2- is bonded to two Cu2+ and two equivalent In3+ atoms to form distorted OIn2Cu2 trigonal pyramids that share corners with six OIn3Cu tetrahedra, corners with two equivalent OIn2Cu2 trigonal pyramids, an edgeedge with one OIn3Cu tetrahedra, and an edgeedge with one OIn2Cu2 trigonal pyramid.
DOI: 10.17188/1197063
title: Materials Data on NdAl3(PbO4)2 by Materials Project

description: NdAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Nd3+ is bonded to eight O2- atoms to form NdO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.35 Å) and six longer (2.61 Å) Nd–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent NdO8 hexagonal bipyramids. All Al–O bond lengths are 1.76 Å. Pb2+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to one Nd3+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing ONdPb3 tetrahedra.
DOI: 10.17188/1197064
title: Materials Data on Er6Fe23 by Materials Project

description: Er6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Er–Fe bond distances ranging from 2.88–3.03 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Er and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.52–2.90 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Er and nine Fe atoms. There are three shorter (2.45 Å) and three longer (2.53 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. In the fourth Fe site, Fe is bonded to four equivalent Er and eight Fe atoms to form a mixture of face and corner-sharing FeEr4Fe8 cuboctahedra.
DOI: 10.17188/1197065
title: Materials Data on U2Si5Tc3 by Materials Project

description: U2Tc3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. U+5.50+ is bonded in a 11-coordinate geometry to four Tc+2.33- and nine Si+0.80- atoms. There are two shorter (3.09 Å) and two longer (3.30 Å) U–Tc bond lengths. There are a spread of U–Si bond distances ranging from 2.89–3.19 Å. There are two inequivalent Tc+2.33- sites. In the first Tc+2.33- site, Tc+2.33- is bonded in a 8-coordinate geometry to two equivalent U+5.50+ and six Si+0.80- atoms. There are a spread of Tc–Si bond distances ranging from 2.45–2.53 Å. In the second Tc+2.33- site, Tc+2.33- is bonded to four equivalent U+5.50+, two equivalent Tc+2.33-, and six Si+0.80- atoms to form a mixture of distorted corner and face-sharing TcU4Si6Tc2 cuboctahedra. Both Tc–Tc bond lengths are 2.74 Å. There are four shorter (2.45 Å) and two longer (2.69 Å) Tc–Si bond lengths. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent U+5.50+, four equivalent Tc+2.33-, and one Si+0.80- atom. The Si–Si bond length is 2.57 Å. In the second Si+0.80- site, Si+0.80- is bonded in a 11-coordinate geometry to four equivalent U+5.50+, three Tc+2.33-, and four Si+0.80- atoms. There are two shorter (2.57 Å) and two longer (2.74 Å) Si–Si bond lengths. In the third Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to three equivalent U+5.50+, four Tc+2.33-, and two equivalent Si+0.80- atoms.
DOI: 10.17188/1197066
title: Materials Data on Y6Te2Rh by Materials Project

description: Y6RhTe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Y sites. In the first Y site, Y is bonded in a 2-coordinate geometry to two equivalent Rh and one Te atom. Both Y–Rh bond lengths are 2.92 Å. The Y–Te bond length is 3.31 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to two equivalent Rh and three Te atoms. Both Y–Rh bond lengths are 2.94 Å. There are one shorter (3.10 Å) and two longer (3.24 Å) Y–Te bond lengths. In the third Y site, Y is bonded in a 4-coordinate geometry to four Te atoms. There are a spread of Y–Te bond distances ranging from 3.06–3.31 Å. In the fourth Y site, Y is bonded in a 5-coordinate geometry to three equivalent Rh and two equivalent Te atoms. There are two shorter (2.91 Å) and one longer (3.27 Å) Y–Rh bond lengths. Both Y–Te bond lengths are 3.28 Å. In the fifth Y site, Y is bonded in a 4-coordinate geometry to four Te atoms. There are two shorter (3.12 Å) and two longer (3.14 Å) Y–Te bond lengths. In the sixth Y site, Y is bonded in a distorted L-shaped geometry to one Rh and one Te atom. The Y–Rh bond length is 3.25 Å. The Y–Te bond length is 3.13 Å. Rh is bonded in a 6-coordinate geometry to eight Y atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Y atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Y atoms.
DOI: 10.17188/1197068
title: Materials Data on ThFe5P3 by Materials Project

description: ThFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Th–Fe bond distances ranging from 2.96–3.17 Å. There are a spread of Th–P bond distances ranging from 2.88–2.95 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.31–2.35 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.23–2.57 Å. In the third Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.31–2.40 Å. In the fourth Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.23–2.37 Å. In the fifth Fe site, Fe is bonded to one Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeThP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.14–2.25 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms.
DOI: 10.17188/1197069
title: Materials Data on Y2(Ga3Co)3 by Materials Project

description: Y2Co3Ga9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Y–Ga bond distances ranging from 2.97–3.04 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.51–2.56 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.53 Å) and four longer (2.55 Å) Co–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Y, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.82 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, three Co, and five Ga atoms. There are one shorter (2.68 Å) and two longer (2.81 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.72 Å.
DOI: 10.17188/1197070
title: Materials Data on Mn6Ni16As7 by Materials Project

description: Mn6Ni16As7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a 4-coordinate geometry to four equivalent Mn, eight Ni, and four equivalent As atoms. All Mn–Mn bond lengths are 3.01 Å. There are four shorter (2.64 Å) and four longer (2.90 Å) Mn–Ni bond lengths. All Mn–As bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Mn, six Ni, and four As atoms. There are three shorter (2.58 Å) and three longer (2.67 Å) Ni–Ni bond lengths. There are one shorter (2.31 Å) and three longer (2.50 Å) Ni–As bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Mn, three equivalent Ni, and three equivalent As atoms. All Ni–As bond lengths are 2.31 Å. There are two inequivalent As sites. In the first As site, As is bonded to four equivalent Mn and eight Ni atoms to form a mixture of distorted face and corner-sharing AsMn4Ni8 cuboctahedra. In the second As site, As is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1197071
title: Materials Data on HoRh by Materials Project

description: HoRh is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ho–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1197072
title: Materials Data on KTiF4 by Materials Project

description: KTiF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.90 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.75–3.23 Å. Ti3+ is bonded to six F1- atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedra tilt angles range from 15–30°. There are a spread of Ti–F bond distances ranging from 1.93–2.03 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three K1+ and one Ti3+ atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the second F1- site, F1- is bonded to three K1+ and one Ti3+ atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Ti3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Ti3+ atoms. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one K1+ and two equivalent Ti3+ atoms.
DOI: 10.17188/1197073
title: Materials Data on Mo3S4 by Materials Project

description: Mo3S4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.67+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.43–2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Mo+2.67+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Mo+2.67+ atoms.
DOI: 10.17188/1197074
title: Materials Data on Mn3(Ni10P3)2 by Materials Project

description: Mn3Ni20P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All Mn–Ni bond lengths are 2.46 Å. In the second Mn site, Mn is bonded to twelve equivalent Ni and six equivalent P atoms to form distorted MnNi12P6 cuboctahedra that share corners with twenty-four equivalent NiMnP3 tetrahedra. All Mn–Ni bond lengths are 2.70 Å. All Mn–P bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Mn and three equivalent P atoms to form NiMnP3 tetrahedra that share corners with three equivalent MnNi12P6 cuboctahedra, corners with six equivalent NiMnP3 tetrahedra, and edges with three equivalent NiMnP3 tetrahedra. All Ni–P bond lengths are 2.26 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Mn and two equivalent P atoms. Both Ni–P bond lengths are 2.15 Å. P is bonded in a 8-coordinate geometry to one Mn and eight Ni atoms.
DOI: 10.17188/1197075
title: Materials Data on UMn5P3 by Materials Project

description: UMn5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to six P atoms. There are a spread of U–P bond distances ranging from 2.82–2.88 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.36 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.30–2.37 Å. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.27 Å) Mn–P bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.39–2.56 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms.
DOI: 10.17188/1197076
title: Materials Data on BaNb8O14 by Materials Project

description: BaNb8O14 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with two equivalent BaO12 cuboctahedra, corners with four equivalent NbO5 square pyramids, edges with six NbO5 square pyramids, faces with four equivalent NbO6 octahedra, and faces with two equivalent NbO5 square pyramids. There are a spread of Ba–O bond distances ranging from 2.83–3.01 Å. There are three inequivalent Nb+3.25+ sites. In the first Nb+3.25+ site, Nb+3.25+ is bonded to six O2- atoms to form NbO6 octahedra that share a cornercorner with one NbO6 octahedra, corners with six NbO5 square pyramids, edges with two equivalent NbO5 square pyramids, and faces with two equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Nb–O bond distances ranging from 1.97–2.09 Å. In the second Nb+3.25+ site, Nb+3.25+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with four equivalent NbO6 octahedra, corners with six equivalent NbO5 square pyramids, an edgeedge with one BaO12 cuboctahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–45°. There are a spread of Nb–O bond distances ranging from 2.11–2.21 Å. In the third Nb+3.25+ site, Nb+3.25+ is bonded to five O2- atoms to form NbO5 square pyramids that share a cornercorner with one BaO12 cuboctahedra, a cornercorner with one NbO6 octahedra, corners with six NbO5 square pyramids, an edgeedge with one BaO12 cuboctahedra, an edgeedge with one NbO6 octahedra, and an edgeedge with one NbO5 square pyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of Nb–O bond distances ranging from 2.05–2.19 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+ and two equivalent Nb+3.25+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Nb+3.25+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ba2+ and three Nb+3.25+ atoms. In the fourth O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+3.25+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to one Ba2+ and three Nb+3.25+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Nb+3.25+ atoms.
DOI: 10.17188/1197077
title: Materials Data on CeGePd by Materials Project

description: CePdGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Ce–Ge bond distances ranging from 3.18–3.26 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.20–3.26 Å. There are a spread of Ce–Ge bond distances ranging from 3.07–3.17 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Ce–Pd bond distances ranging from 3.03–3.23 Å. There are a spread of Ce–Ge bond distances ranging from 3.13–3.28 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Ce and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.62–3.03 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.17 Å. All Pd–Ge bond lengths are 2.59 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Ce, one Pd, and three equivalent Ge atoms. There are two shorter (2.60 Å) and one longer (2.62 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three Pd, and one Ge atom. The Ge–Ge bond length is 2.85 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ce, three equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Ce and four Pd atoms.
DOI: 10.17188/1197078
title: Materials Data on SmZn by Materials Project

description: SmZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.15 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.