cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316034
title: Materials Data on Tb(BIr)4 by Materials Project

description: Tb(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to four equivalent B atoms. All Tb–B bond lengths are 2.90 Å. Ir is bonded in a 4-coordinate geometry to four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.10–2.18 Å. B is bonded in a 6-coordinate geometry to one Tb, four equivalent Ir, and one B atom. The B–B bond length is 1.84 Å.
DOI: 10.17188/1316035
title: Materials Data on SmGeO3 by Materials Project

description: SmGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm2+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Sm–O bond lengths are 2.79 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1316036
title: Materials Data on SmEr3 by Materials Project

description: Er3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Sm atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent SmEr12 cuboctahedra, corners with fourteen ErSm4Er8 cuboctahedra, edges with six equivalent SmEr12 cuboctahedra, edges with twelve ErSm4Er8 cuboctahedra, faces with four equivalent SmEr12 cuboctahedra, and faces with sixteen ErSm4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.50–3.63 Å. There are two shorter (3.51 Å) and two longer (3.60 Å) Er–Sm bond lengths. In the second Er site, Er is bonded to eight Er and four equivalent Sm atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent SmEr12 cuboctahedra, corners with fourteen ErSm4Er8 cuboctahedra, edges with six equivalent SmEr12 cuboctahedra, edges with twelve ErSm4Er8 cuboctahedra, faces with four equivalent SmEr12 cuboctahedra, and faces with sixteen ErSm4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.50–3.63 Å. There are two shorter (3.51 Å) and two longer (3.60 Å) Er–Sm bond lengths. In the third Er site, Er is bonded to eight Er and four equivalent Sm atoms to form ErSm4Er8 cuboctahedra that share corners with four equivalent SmEr12 cuboctahedra, corners with fourteen ErSm4Er8 cuboctahedra, edges with six equivalent SmEr12 cuboctahedra, edges with twelve ErSm4Er8 cuboctahedra, faces with four equivalent SmEr12 cuboctahedra, and faces with sixteen ErSm4Er8 cuboctahedra. There are two shorter (3.51 Å) and two longer (3.60 Å) Er–Sm bond lengths. Sm is bonded to twelve Er atoms to form SmEr12 cuboctahedra that share corners with six equivalent SmEr12 cuboctahedra, corners with twelve ErSm4Er8 cuboctahedra, edges with eighteen ErSm4Er8 cuboctahedra, faces with eight equivalent SmEr12 cuboctahedra, and faces with twelve ErSm4Er8 cuboctahedra.
DOI: 10.17188/1316037
title: Materials Data on SnCl by Materials Project

description: SnCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sn is bonded in a distorted single-bond geometry to four equivalent Cl atoms. There are one shorter (2.68 Å) and three longer (3.10 Å) Sn–Cl bond lengths. Cl is bonded in a distorted single-bond geometry to four equivalent Sn atoms.
DOI: 10.17188/1316038
title: Materials Data on SrAcZn2 by Materials Project

description: SrAcZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sr–Zn bond lengths are 3.39 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ac–Zn bond lengths are 3.39 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Ac atoms.
DOI: 10.17188/1316039
title: Materials Data on Sm3Th by Materials Project

description: ThSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Sm atoms to form ThSm12 cuboctahedra that share corners with four equivalent ThSm12 cuboctahedra, corners with eight equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen equivalent SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Th–Sm bond lengths are 3.61 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Th and eight Sm atoms to form SmSm8Th4 cuboctahedra that share corners with twelve equivalent SmSm8Th4 cuboctahedra, edges with eight equivalent ThSm12 cuboctahedra, edges with sixteen SmSm8Th4 cuboctahedra, faces with four equivalent ThSm12 cuboctahedra, and faces with fourteen SmSm8Th4 cuboctahedra. All Sm–Sm bond lengths are 3.61 Å. In the second Sm site, Sm is bonded to four equivalent Th and eight equivalent Sm atoms to form SmSm8Th4 cuboctahedra that share corners with four equivalent SmSm8Th4 cuboctahedra, corners with eight equivalent ThSm12 cuboctahedra, edges with twenty-four SmSm8Th4 cuboctahedra, faces with six equivalent ThSm12 cuboctahedra, and faces with twelve SmSm8Th4 cuboctahedra.
DOI: 10.17188/1316040
title: Materials Data on Sm3Ho by Materials Project

description: HoSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sm atoms to form HoSm12 cuboctahedra that share corners with twelve equivalent HoSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Ho4 cuboctahedra, faces with six equivalent HoSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ho4 cuboctahedra. All Ho–Sm bond lengths are 3.60 Å. Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eight equivalent HoSm12 cuboctahedra, edges with sixteen equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Ho4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å.
DOI: 10.17188/1316041
title: Materials Data on SmAl by Materials Project

description: SmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.43 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Sm and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded to eight Sm and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlSm8Al4 cuboctahedra. Both Al–Al bond lengths are 2.85 Å.
DOI: 10.17188/1316042
title: Materials Data on SnPbO3 by Materials Project

description: PbSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Pb–O bond lengths are 2.92 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Pb2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1316043
title: Materials Data on SrAcTl2 by Materials Project

description: SrAcTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sr–Tl bond lengths are 3.58 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ac–Tl bond lengths are 3.58 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Ac atoms.
DOI: 10.17188/1316044
title: Materials Data on Sm3Tm by Materials Project

description: TmSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Sm atoms to form TmSm12 cuboctahedra that share corners with four equivalent TmSm12 cuboctahedra, corners with eight equivalent SmSm8Tm4 cuboctahedra, edges with eight equivalent TmSm12 cuboctahedra, edges with sixteen equivalent SmSm8Tm4 cuboctahedra, faces with four equivalent TmSm12 cuboctahedra, and faces with fourteen SmSm8Tm4 cuboctahedra. All Tm–Sm bond lengths are 3.61 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Tm and eight Sm atoms to form SmSm8Tm4 cuboctahedra that share corners with twelve equivalent SmSm8Tm4 cuboctahedra, edges with eight equivalent TmSm12 cuboctahedra, edges with sixteen SmSm8Tm4 cuboctahedra, faces with four equivalent TmSm12 cuboctahedra, and faces with fourteen SmSm8Tm4 cuboctahedra. All Sm–Sm bond lengths are 3.61 Å. In the second Sm site, Sm is bonded to four equivalent Tm and eight equivalent Sm atoms to form SmSm8Tm4 cuboctahedra that share corners with four equivalent SmSm8Tm4 cuboctahedra, corners with eight equivalent TmSm12 cuboctahedra, edges with twenty-four SmSm8Tm4 cuboctahedra, faces with six equivalent TmSm12 cuboctahedra, and faces with twelve SmSm8Tm4 cuboctahedra.
DOI: 10.17188/1316045
title: Materials Data on Tl3Fe by Materials Project

description: FeTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Tl atoms to form FeTl12 cuboctahedra that share corners with twelve equivalent FeTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Fe4 cuboctahedra, faces with six equivalent FeTl12 cuboctahedra, and faces with twelve equivalent TlTl8Fe4 cuboctahedra. All Fe–Tl bond lengths are 3.23 Å. Tl is bonded to four equivalent Fe and eight equivalent Tl atoms to form TlTl8Fe4 cuboctahedra that share corners with twelve equivalent TlTl8Fe4 cuboctahedra, edges with eight equivalent FeTl12 cuboctahedra, edges with sixteen equivalent TlTl8Fe4 cuboctahedra, faces with four equivalent FeTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Fe4 cuboctahedra. All Tl–Tl bond lengths are 3.23 Å.
DOI: 10.17188/1316046
title: Materials Data on Ti3Be by Materials Project

description: BeTi3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ti atoms to form BeTi12 cuboctahedra that share corners with six equivalent BeTi12 cuboctahedra, corners with twelve equivalent TiTi8Be4 cuboctahedra, edges with eighteen equivalent TiTi8Be4 cuboctahedra, faces with eight equivalent BeTi12 cuboctahedra, and faces with twelve equivalent TiTi8Be4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.78 Å) Be–Ti bond lengths. Ti is bonded to four equivalent Be and eight equivalent Ti atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent BeTi12 cuboctahedra, corners with fourteen equivalent TiTi8Be4 cuboctahedra, edges with six equivalent BeTi12 cuboctahedra, edges with twelve equivalent TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Be4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.65–2.90 Å.
DOI: 10.17188/1316047
title: Materials Data on Th3Mg by Materials Project

description: MgTh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Th atoms to form MgTh12 cuboctahedra that share corners with twelve equivalent MgTh12 cuboctahedra, edges with twenty-four equivalent ThTh8Mg4 cuboctahedra, faces with six equivalent MgTh12 cuboctahedra, and faces with twelve equivalent ThTh8Mg4 cuboctahedra. All Mg–Th bond lengths are 3.51 Å. Th is bonded to four equivalent Mg and eight equivalent Th atoms to form ThTh8Mg4 cuboctahedra that share corners with twelve equivalent ThTh8Mg4 cuboctahedra, edges with eight equivalent MgTh12 cuboctahedra, edges with sixteen equivalent ThTh8Mg4 cuboctahedra, faces with four equivalent MgTh12 cuboctahedra, and faces with fourteen equivalent ThTh8Mg4 cuboctahedra. All Th–Th bond lengths are 3.51 Å.
DOI: 10.17188/1316048
title: Materials Data on Th3Ni by Materials Project

description: Th3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent Ni atoms to form distorted ThTh8Ni4 cuboctahedra that share corners with twelve equivalent ThTh8Ni4 cuboctahedra, edges with eight equivalent ThTh8Ni4 cuboctahedra, edges with eight equivalent NiTh12 cuboctahedra, faces with four equivalent NiTh12 cuboctahedra, and faces with ten equivalent ThTh8Ni4 cuboctahedra. There are four shorter (3.28 Å) and four longer (3.39 Å) Th–Th bond lengths. All Th–Ni bond lengths are 3.39 Å. In the second Th site, Th is bonded in a distorted square co-planar geometry to eight equivalent Th and four equivalent Ni atoms. All Th–Ni bond lengths are 3.28 Å. Ni is bonded to twelve Th atoms to form NiTh12 cuboctahedra that share corners with four equivalent NiTh12 cuboctahedra, edges with eight equivalent NiTh12 cuboctahedra, edges with sixteen equivalent ThTh8Ni4 cuboctahedra, faces with four equivalent NiTh12 cuboctahedra, and faces with eight equivalent ThTh8Ni4 cuboctahedra.
DOI: 10.17188/1316049
title: Materials Data on SrDy3 by Materials Project

description: SrDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Dy atoms to form SrDy12 cuboctahedra that share corners with four equivalent SrDy12 cuboctahedra, corners with eight equivalent DySr4Dy8 cuboctahedra, edges with eight equivalent SrDy12 cuboctahedra, edges with sixteen equivalent DySr4Dy8 cuboctahedra, faces with four equivalent SrDy12 cuboctahedra, and faces with fourteen DySr4Dy8 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.68 Å) Sr–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Sr and eight Dy atoms to form DySr4Dy8 cuboctahedra that share corners with twelve equivalent DySr4Dy8 cuboctahedra, edges with eight equivalent SrDy12 cuboctahedra, edges with sixteen DySr4Dy8 cuboctahedra, faces with four equivalent SrDy12 cuboctahedra, and faces with fourteen DySr4Dy8 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to four equivalent Sr and eight equivalent Dy atoms to form DySr4Dy8 cuboctahedra that share corners with four equivalent DySr4Dy8 cuboctahedra, corners with eight equivalent SrDy12 cuboctahedra, edges with twenty-four DySr4Dy8 cuboctahedra, faces with six equivalent SrDy12 cuboctahedra, and faces with twelve DySr4Dy8 cuboctahedra.
DOI: 10.17188/1316050
title: Materials Data on Ti3O2 by Materials Project

description: Ti3O2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.08 Å) and two longer (2.14 Å) Ti–O bond lengths. O is bonded to six equivalent Ti atoms to form a mixture of edge, face, and corner-sharing OTi6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°.
DOI: 10.17188/1316051
title: Materials Data on TlAu3 by Materials Project

description: Au3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded to eight Au+0.33- and four equivalent Tl1+ atoms to form distorted AuTl4Au8 cuboctahedra that share corners with twelve equivalent AuTl4Au8 cuboctahedra, edges with eight equivalent AuTl4Au8 cuboctahedra, edges with eight equivalent TlAu12 cuboctahedra, faces with four equivalent TlAu12 cuboctahedra, and faces with ten equivalent AuTl4Au8 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.11 Å) Au–Au bond lengths. All Au–Tl bond lengths are 3.11 Å. In the second Au+0.33- site, Au+0.33- is bonded in a square co-planar geometry to eight equivalent Au+0.33- and four equivalent Tl1+ atoms. All Au–Tl bond lengths are 2.97 Å. Tl1+ is bonded to twelve Au+0.33- atoms to form TlAu12 cuboctahedra that share corners with four equivalent TlAu12 cuboctahedra, edges with eight equivalent TlAu12 cuboctahedra, edges with sixteen equivalent AuTl4Au8 cuboctahedra, faces with four equivalent TlAu12 cuboctahedra, and faces with eight equivalent AuTl4Au8 cuboctahedra.
DOI: 10.17188/1316052
title: Materials Data on Sm2ZnHg by Materials Project

description: Sm2HgZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Zn atoms. All Sm–Hg bond lengths are 3.23 Å. All Sm–Zn bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1316053
title: Materials Data on SnRh3 by Materials Project

description: Rh3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with twelve equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.86 Å) Rh–Rh bond lengths. All Rh–Sn bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form RhSn4Rh8 cuboctahedra that share corners with four equivalent RhSn4Rh8 cuboctahedra, corners with eight equivalent SnRh12 cuboctahedra, edges with twenty-four RhSn4Rh8 cuboctahedra, faces with six equivalent SnRh12 cuboctahedra, and faces with twelve RhSn4Rh8 cuboctahedra. All Rh–Sn bond lengths are 2.86 Å. Sn is bonded to twelve Rh atoms to form SnRh12 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with eight equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra.
DOI: 10.17188/1316054
title: Materials Data on Ti6Al16Pt7 by Materials Project

description: Ti6Pt7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Pt, and eight Al atoms. All Ti–Ti bond lengths are 2.99 Å. All Ti–Pt bond lengths are 3.20 Å. There are four shorter (2.77 Å) and four longer (3.28 Å) Ti–Al bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.50 Å) and four longer (2.69 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Ti and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Pt4 tetrahedra. In the second Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Pt atoms.
DOI: 10.17188/1316055
title: Materials Data on TmMgPt2 by Materials Project

description: MgTmPt2 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 Pt atoms. All Mg–Pt bond lengths are 2.89 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Tm–Pt bond lengths are 2.89 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms.
DOI: 10.17188/1316056
title: Materials Data on SnBr2 by Materials Project

description: SnBr2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sn2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (3.00 Å) and four longer (3.02 Å) Sn–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ atoms.
DOI: 10.17188/1316057
title: Materials Data on Sr(GePd)2 by Materials Project

description: SrPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Sr–Pd bond lengths are 3.40 Å. All Sr–Ge bond lengths are 3.41 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.67 Å.
DOI: 10.17188/1316058
title: Materials Data on SrGe3Pd by Materials Project

description: SrPdGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Ge atoms. All Sr–Pd bond lengths are 3.51 Å. There are a spread of Sr–Ge bond distances ranging from 3.36–3.48 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Sr and five Ge atoms. There are one shorter (2.51 Å) and four longer (2.54 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.72 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Pd, and two equivalent Ge atoms.
DOI: 10.17188/1316059
title: Materials Data on TbTmHg2 by Materials Project

description: TmTbHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tm–Hg bond lengths are 3.21 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Tb atoms.