cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1196400
title: Materials Data on Ca3PbN by Materials Project

description: Ca3PbN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3Pb framework. In the Ca3Pb framework, Ca is bonded in a linear geometry to two equivalent Pb atoms. Both Ca–Pb bond lengths are 2.98 Å. Pb is bonded to six equivalent Ca atoms to form corner-sharing PbCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196401
title: Materials Data on Sr2Cu2O5 by Materials Project

description: Sr2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.97 Å. Cu3+ is bonded to five O2- atoms to form corner-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.87–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 4–54°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cu3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 4–57°. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two equivalent Cu3+ atoms.
DOI: 10.17188/1196402
title: Materials Data on Np(CoSi)2 by Materials Project

description: NpCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Np–Si bond lengths are 2.96 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Np4+, four equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.36 Å.
DOI: 10.17188/1196403
title: Materials Data on CaMnSb2 by Materials Project

description: CaMnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.30–3.36 Å. Mn2+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb2- atoms. There are two shorter (3.00 Å) and two longer (3.20 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1196404
title: Materials Data on U(GeRh)2 by Materials Project

description: URh2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All U–Rh bond lengths are 3.34 Å. All U–Ge bond lengths are 3.16 Å. Rh is bonded to four equivalent U and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing RhU4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.50 Å.
DOI: 10.17188/1196405
title: Materials Data on Np(MnGe)2 by Materials Project

description: Np(MnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np is bonded in a 8-coordinate geometry to eight equivalent Mn and eight equivalent Ge atoms. All Np–Mn bond lengths are 3.24 Å. All Np–Ge bond lengths are 3.10 Å. Mn is bonded to four equivalent Np and four equivalent Ge atoms to form a mixture of edge, face, and corner-sharing MnNp4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.37 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Np, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1196406
title: Materials Data on K(InAu2)2 by Materials Project

description: K(Au2In)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All K–Au bond lengths are 3.44 Å. Au1- is bonded in a 10-coordinate geometry to two equivalent K1+, four equivalent Au1-, and four equivalent In+1.50+ atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.02 Å. There are a spread of Au–In bond distances ranging from 2.88–2.98 Å. In+1.50+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms.
DOI: 10.17188/1196407
title: Materials Data on Pr3InO by Materials Project

description: Pr3InO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent In and two equivalent O atoms. All Pr–In bond lengths are 3.56 Å. Both Pr–O bond lengths are 2.52 Å. In is bonded to twelve equivalent Pr atoms to form InPr12 cuboctahedra that share corners with twelve equivalent InPr12 cuboctahedra, faces with six equivalent InPr12 cuboctahedra, and faces with eight equivalent OPr6 octahedra. O is bonded to six equivalent Pr atoms to form OPr6 octahedra that share corners with six equivalent OPr6 octahedra and faces with eight equivalent InPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196408
title: Materials Data on Ce3Ni2B2N3 by Materials Project

description: Ce3Ni2B2N3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce+3.67+ sites. In the first Ce+3.67+ site, Ce+3.67+ is bonded to five N3- atoms to form CeN5 square pyramids that share corners with five equivalent CeN5 square pyramids, edges with four equivalent CeN6 octahedra, and edges with four equivalent CeN5 square pyramids. There are four shorter (2.53 Å) and one longer (2.57 Å) Ce–N bond lengths. In the second Ce+3.67+ site, Ce+3.67+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with four equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent CeN5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.41 Å) and four longer (2.53 Å) Ce–N bond lengths. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent NCe5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Ni–B bond lengths are 2.14 Å. B3- is bonded in a single-bond geometry to four equivalent Ni2+ and one N3- atom. The B–N bond length is 1.47 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Ce+3.67+ and one B3- atom to form distorted NCe5B octahedra that share corners with five equivalent NCe5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with eight NCe5B octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second N3- site, N3- is bonded to six Ce+3.67+ atoms to form NCe6 octahedra that share corners with four equivalent NCe6 octahedra and edges with twelve NCe5B octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196409
title: Materials Data on Ca2PbO4 by Materials Project

description: Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.
DOI: 10.17188/1196410
title: Materials Data on Mn2SnS4 by Materials Project

description: Mn2SnS4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with six equivalent MnS6 octahedra, edges with four equivalent MnS6 octahedra, and edges with four equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mn–S bond lengths are 2.60 Å. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share edges with two equivalent SnS6 octahedra and edges with eight equivalent MnS6 octahedra. There are two shorter (2.58 Å) and four longer (2.60 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Mn2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded to four equivalent Mn2+ and one Sn4+ atom to form a mixture of corner and edge-sharing SMn4Sn square pyramids.
DOI: 10.17188/1196411
title: Materials Data on YN by Materials Project

description: YN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–N bond lengths are 2.46 Å. N3- is bonded to six equivalent Y3+ atoms to form a mixture of edge and corner-sharing NY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1196412
title: Materials Data on CeSb by Materials Project

description: CeSb is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Ce–Sb bond lengths are 3.34 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight equivalent Ce3+ atoms.
DOI: 10.17188/1196413
title: Materials Data on Fe2CuGe2 by Materials Project

description: CuFe2Ge2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to two equivalent Fe, four equivalent Cu, and five Ge atoms. Both Fe–Fe bond lengths are 2.62 Å. All Fe–Cu bond lengths are 2.58 Å. There are a spread of Fe–Ge bond distances ranging from 2.39–2.49 Å. In the second Fe site, Fe is bonded in a 6-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.48 Å. There are two shorter (2.42 Å) and four longer (2.49 Å) Fe–Ge bond lengths. Cu is bonded to four equivalent Fe, two equivalent Cu, and six Ge atoms to form a mixture of corner, edge, and face-sharing CuFe4Cu2Ge6 cuboctahedra. Both Cu–Cu bond lengths are 2.48 Å. There are four shorter (2.68 Å) and two longer (2.83 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Fe and two equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Fe and four equivalent Cu atoms.
DOI: 10.17188/1196414
title: Materials Data on CeP by Materials Project

description: CeP is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ce–P bond lengths are 3.03 Å. P3- is bonded in a body-centered cubic geometry to eight equivalent Ce3+ atoms.
DOI: 10.17188/1196415
title: Materials Data on TbCoGe by Materials Project

description: TbCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to four equivalent Co and six equivalent Ge atoms. There are a spread of Tb–Co bond distances ranging from 2.89–2.99 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.18 Å. Co is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. There are three shorter (2.47 Å) and one longer (2.58 Å) Co–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Co atoms.
DOI: 10.17188/1196416
title: Materials Data on PrInCu2 by Materials Project

description: PrInCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Pr–Cu bond lengths are 2.95 Å. All Pr–In bond lengths are 3.41 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent In atoms. All Cu–In bond lengths are 2.95 Å. In is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Cu atoms.
DOI: 10.17188/1196417
title: Materials Data on GdO2 by Materials Project

description: GdO2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Gd–O bond distances ranging from 2.38–2.47 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to four equivalent Gd atoms. In the second O site, O is bonded to five equivalent Gd atoms to form a mixture of distorted edge and corner-sharing OGd5 trigonal bipyramids.
DOI: 10.17188/1196418
title: Materials Data on Pu2Mg by Materials Project

description: MgPu2 is Fluorite 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 Pu atoms. All Mg–Pu bond lengths are 3.16 Å. Pu is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PuMg4 tetrahedra.
DOI: 10.17188/1196419
title: Materials Data on ErGeIr by Materials Project

description: ErIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Er–Ir bond distances ranging from 3.03–3.28 Å. There are a spread of Er–Ge bond distances ranging from 2.97–3.02 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.55–2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ir atoms.
DOI: 10.17188/1196420
title: Materials Data on TbMnGe by Materials Project

description: TbMnGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.97–3.01 Å. Mn is bonded in a 4-coordinate geometry to four equivalent Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.80 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Mn atoms.
DOI: 10.17188/1196421
title: Materials Data on DyMnGe by Materials Project

description: DyMnGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.96–2.99 Å. Mn is bonded in a 4-coordinate geometry to four equivalent Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.79 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Mn atoms.
DOI: 10.17188/1196422
title: Materials Data on TbPb3 by Materials Project

description: TbPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing TbPb12 cuboctahedra. All Tb–Pb bond lengths are 3.47 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Tb atoms.
DOI: 10.17188/1196423
title: Materials Data on TmNiGe by Materials Project

description: TmNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Tm–Ni bond distances ranging from 2.89–3.12 Å. There are a spread of Tm–Ge bond distances ranging from 2.92–3.06 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.44–2.67 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ni atoms.
DOI: 10.17188/1196424
title: Materials Data on CeAlPd by Materials Project

description: CePdAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd and six equivalent Al atoms. There are four shorter (3.00 Å) and one longer (3.03 Å) Ce–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Ce–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Al atoms. All Pd–Al bond lengths are 2.68 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Pd–Al bond lengths are 2.82 Å. Al is bonded in a 4-coordinate geometry to six equivalent Ce and four Pd atoms.
DOI: 10.17188/1196425
title: Materials Data on DyGe3 by Materials Project

description: DyGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.97–3.25 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Ge atoms. There are one shorter (2.50 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Dy and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Dy and five equivalent Ge atoms.
DOI: 10.17188/1196426
title: Materials Data on ZrMn2 by Materials Project

description: ZrMn2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Mn atoms. All Zr–Zr bond lengths are 3.05 Å. All Zr–Mn bond lengths are 2.92 Å. Mn is bonded to six equivalent Zr and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnZr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.49 Å.
DOI: 10.17188/1196427
title: Materials Data on Er2Cu2O5 by Materials Project

description: Er2Cu2O5 is Spinel-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 21–64°. There are a spread of Er–O bond distances ranging from 2.22–2.29 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 21–64°. There are a spread of Er–O bond distances ranging from 2.21–2.29 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.95–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one Cu2+ atom to form distorted OEr3Cu tetrahedra that share corners with six OEr3Cu tetrahedra, corners with six OEr2Cu2 trigonal pyramids, and an edgeedge with one OEr2Cu2 trigonal pyramid. In the second O2- site, O2- is bonded to three Er3+ and one Cu2+ atom to form OEr3Cu tetrahedra that share corners with six OEr3Cu tetrahedra, corners with six OEr2Cu2 trigonal pyramids, and an edgeedge with one OEr2Cu2 trigonal pyramid. In the third O2- site, O2- is bonded to two equivalent Er3+ and two Cu2+ atoms to form distorted OEr2Cu2 trigonal pyramids that share corners with six OEr3Cu tetrahedra, corners with two equivalent OEr2Cu2 trigonal pyramids, an edgeedge with one OEr3Cu tetrahedra, and an edgeedge with one OEr2Cu2 trigonal pyramid. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to two Er3+ and two Cu2+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Er3+ and two Cu2+ atoms to form OEr2Cu2 trigonal pyramids that share corners with six OEr3Cu tetrahedra, corners with two equivalent OEr2Cu2 trigonal pyramids, an edgeedge with one OEr3Cu tetrahedra, and an edgeedge with one OEr2Cu2 trigonal pyramid.
DOI: 10.17188/1196428
title: Materials Data on SmSnPt by Materials Project

description: SmPtSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Sn atoms. There are a spread of Sm–Pt bond distances ranging from 3.09–3.60 Å. There are a spread of Sm–Sn bond distances ranging from 3.23–3.38 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.72–2.89 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pt atoms.
DOI: 10.17188/1196429
title: Materials Data on SrPb3 by Materials Project

description: Pb3Sr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing SrPb12 cuboctahedra. All Sr–Pb bond lengths are 3.57 Å. Pb is bonded in a square co-planar geometry to four equivalent Sr atoms.
DOI: 10.17188/1196430
title: Materials Data on SiPt3 by Materials Project

description: Pt3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted T-shaped geometry to three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.64 Å. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) Pt–Si bond lengths. Si4- is bonded in a 8-coordinate geometry to eight Pt+1.33+ atoms.
DOI: 10.17188/1196431
title: Materials Data on SrGePt by Materials Project

description: SrPtGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Pt and four equivalent Ge atoms. There are one shorter (3.26 Å) and three longer (3.35 Å) Sr–Pt bond lengths. There are three shorter (3.42 Å) and one longer (3.49 Å) Sr–Ge bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Sr and three equivalent Ge atoms. All Pt–Ge bond lengths are 2.43 Å. Ge is bonded in a 3-coordinate geometry to four equivalent Sr and three equivalent Pt atoms.