cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1208065
title: Materials Data on NaNdTiNbO6F by Materials Project

description: NaNdTiNbO6F crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Na1+ is bonded to six O2- and two equivalent F1- atoms to form distorted NaO6F2 hexagonal bipyramids that share edges with two equivalent NaO6F2 hexagonal bipyramids, edges with four equivalent NdO6F2 hexagonal bipyramids, edges with two equivalent TiO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Na–O bond distances ranging from 2.56–2.78 Å. Both Na–F bond lengths are 2.21 Å. Nd3+ is bonded to six O2- and two equivalent F1- atoms to form distorted NdO6F2 hexagonal bipyramids that share edges with two equivalent NdO6F2 hexagonal bipyramids, edges with four equivalent NaO6F2 hexagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with four equivalent TiO6 octahedra. There are a spread of Nd–O bond distances ranging from 2.45–2.69 Å. Both Nd–F bond lengths are 2.32 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent NbO6 octahedra, edges with two equivalent NaO6F2 hexagonal bipyramids, and edges with four equivalent NdO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 44–48°. There are a spread of Ti–O bond distances ranging from 1.96–2.01 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent TiO6 octahedra, edges with two equivalent NdO6F2 hexagonal bipyramids, and edges with four equivalent NaO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Nb–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Nd3+, one Ti4+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Nd3+, one Ti4+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb5+ atoms. F1- is bonded to two equivalent Na1+ and two equivalent Nd3+ atoms to form corner-sharing FNa2Nd2 tetrahedra.
DOI: 10.17188/1208066
title: Materials Data on Sr(NiAs)2 by Materials Project

description: SrNi2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.28 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.38 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+ and four equivalent Ni2+ atoms.
DOI: 10.17188/1208067
title: Materials Data on Na8BeAl4Si7(BrO12)2 by Materials Project

description: Na8BeAl4Si7(O12Br)2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to three O2- and one Br1- atom to form distorted NaBrO3 tetrahedra that share corners with two equivalent AlO4 tetrahedra, corners with three NaBrO3 tetrahedra, and corners with four SiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.55 Å. The Na–Br bond length is 2.96 Å. In the second Na1+ site, Na1+ is bonded to three O2- and one Br1- atom to form distorted NaBrO3 tetrahedra that share a cornercorner with one BeO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, corners with three NaBrO3 tetrahedra, and corners with three SiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.37–2.53 Å. The Na–Br bond length is 3.09 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.64 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four NaBrO3 tetrahedra and corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.76 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. In the second Si4+ site, Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.63 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one BeO4 tetrahedra, a cornercorner with one SiO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, and corners with four NaBrO3 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.69 Å. In the fourth Si4+ site, Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaBrO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Al3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Si4+ atoms. Br1- is bonded in a tetrahedral geometry to four Na1+ atoms.
DOI: 10.17188/1208068
title: Materials Data on NbRu by Materials Project

description: NbRu is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.77 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Nb atoms.
DOI: 10.17188/1208069
title: Materials Data on CuTeO3 by Materials Project

description: CuTeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.61 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.15 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cu2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and one Te4+ atom.
DOI: 10.17188/1208070
title: Materials Data on MgSiO3 by Materials Project

description: MgSiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with five MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.06–2.18 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent SiO4 tetrahedra and edges with three equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.40 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with seven MgO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–67°. There are a spread of Si–O bond distances ranging from 1.60–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mg2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom.
DOI: 10.17188/1208071
title: Materials Data on Pr(CoB)2 by Materials Project

description: PrCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Pr–B bond lengths are 3.03 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 1.99 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms.
DOI: 10.17188/1208072
title: Materials Data on Nd(SiPd)2 by Materials Project

description: Nd(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded to eight equivalent Si4- atoms to form NdSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent NdSi8 hexagonal bipyramids. All Nd–Si bond lengths are 3.23 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent NdSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.38 Å.
DOI: 10.17188/1208073
title: Materials Data on Tm2CdS4 by Materials Project

description: CdTm2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent S2- atoms to form TmS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent TmS6 octahedra. All Tm–S bond lengths are 2.71 Å. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–S bond lengths are 2.58 Å. S2- is bonded to three equivalent Tm3+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing STm3Cd trigonal pyramids.
DOI: 10.17188/1208074
title: Materials Data on Zr(SO4)2 by Materials Project

description: Zr(SO4)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded to seven O2- atoms to form distorted ZrO7 pentagonal bipyramids that share corners with seven SO4 tetrahedra. There are a spread of Zr–O bond distances ranging from 2.09–2.30 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ZrO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.43–1.50 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ZrO7 pentagonal bipyramids. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Zr4+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zr4+ and one S6+ atom.
DOI: 10.17188/1208075
title: Materials Data on KErS2 by Materials Project

description: KErS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with six equivalent ErS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent ErS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All K–S bond lengths are 3.20 Å. Er3+ is bonded to six equivalent S2- atoms to form ErS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent ErS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Er–S bond lengths are 2.75 Å. S2- is bonded to three equivalent K1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing SK3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1208076
title: Materials Data on DyAl by Materials Project

description: DyAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.41 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two equivalent Al atoms. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to eight Dy and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlDy8Al4 cuboctahedra. Both Al–Al bond lengths are 2.82 Å.
DOI: 10.17188/1208077
title: Materials Data on Sm(CoGe)2 by Materials Project

description: SmCo2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Sm–Co bond lengths are 3.25 Å. All Sm–Ge bond lengths are 3.13 Å. Co is bonded to four equivalent Sm and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CoSm4Ge4 tetrahedra. All Co–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.67 Å.
DOI: 10.17188/1208078
title: Materials Data on LaPPd by Materials Project

description: LaPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing LaP6Pd6 cuboctahedra. All La–Pd bond lengths are 3.18 Å. All La–P bond lengths are 3.18 Å. Pd is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Pd–P bond lengths are 2.48 Å. P is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Pd atoms.
DOI: 10.17188/1208079
title: Materials Data on Dy(GeRh)2 by Materials Project

description: Dy(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Dy–Rh bond lengths are 3.32 Å. All Dy–Ge bond lengths are 3.19 Å. Rh is bonded to four equivalent Dy and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing RhDy4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.52 Å.
DOI: 10.17188/1208080
title: Materials Data on Cr2CdS4 by Materials Project

description: CdCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.43 Å. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cd–S bond lengths are 2.53 Å. S2- is bonded to three equivalent Cr3+ and one Cd2+ atom to form a mixture of distorted corner and edge-sharing SCr3Cd tetrahedra.
DOI: 10.17188/1208081
title: Materials Data on SrAu2 by Materials Project

description: SrAu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.47 Å. Au1- is bonded in a 10-coordinate geometry to six equivalent Sr2+ and four equivalent Au1- atoms. There are three shorter (2.81 Å) and one longer (3.20 Å) Au–Au bond lengths.
DOI: 10.17188/1208082
title: Materials Data on TbPO4 by Materials Project

description: TbPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.35 Å) and four longer (2.40 Å) Tb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one P5+ atom.
DOI: 10.17188/1208083
title: Materials Data on Pr(P3Ru)4 by Materials Project

description: PrRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent P1- atoms to form PrP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Pr–P bond lengths are 3.13 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent PrP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.33 Å) P–P bond lengths.
DOI: 10.17188/1208084
title: Materials Data on KNbO3 by Materials Project

description: KNbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are a spread of K–O bond distances ranging from 2.82–3.02 Å. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Nb–O bond distances ranging from 1.86–2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1208085
title: Materials Data on Sr(MnAs)2 by Materials Project

description: SrMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Sr–As bond lengths are 3.14 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–49°. There are one shorter (2.43 Å) and three longer (2.48 Å) Mn–As bond lengths. As3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1208086
title: Materials Data on HoTaO4 by Materials Project

description: HoTaO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.30–2.46 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Ta5+ atom.
DOI: 10.17188/1208087
title: Materials Data on SrRuO3 by Materials Project

description: SrRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Sr–O bond lengths are 2.82 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.99 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1208088
title: Materials Data on ThSn3 by Materials Project

description: ThSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing ThSn12 cuboctahedra. All Th–Sn bond lengths are 3.37 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Th atoms.