cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316281
title: Materials Data on Sr(DyS2)2 by Materials Project

description: Sr(DyS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.10–3.34 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.72–2.77 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–S bond distances ranging from 2.69–2.78 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SSr2Dy3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Dy3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Sr2+ and three equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing SSr2Dy3 trigonal bipyramids.
DOI: 10.17188/1316282
title: Materials Data on SrBr3 by Materials Project

description: SrBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Br atoms to form a mixture of face and corner-sharing SrBr12 cuboctahedra. There are six shorter (3.38 Å) and six longer (3.55 Å) Sr–Br bond lengths. Br is bonded in a see-saw-like geometry to four equivalent Sr atoms.
DOI: 10.17188/1316283
title: Materials Data on TmLuCo2 by Materials Project

description: LuTmCo2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Lu–Co bond lengths are 2.84 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Tm–Co bond lengths are 2.84 Å. Co is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Tm atoms.
DOI: 10.17188/1316284
title: Materials Data on KDy(CO3)2 by Materials Project

description: KDy(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.40 Å. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.28–2.49 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+, one Dy3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Dy3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Dy3+, and one C4+ atom.
DOI: 10.17188/1316285
title: Materials Data on VFeRu2 by Materials Project

description: VRu2Fe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All V–Ru bond lengths are 2.60 Å. Ru is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Fe atoms. All Ru–Fe bond lengths are 2.60 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1316286
title: Materials Data on YAs3 by Materials Project

description: YAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent As1- atoms to form a mixture of distorted face and corner-sharing YAs12 cuboctahedra. There are six shorter (3.02 Å) and six longer (3.18 Å) Y–As bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent Y3+ and two equivalent As1- atoms. Both As–As bond lengths are 2.66 Å.
DOI: 10.17188/1316287
title: Materials Data on Sm3Co by Materials Project

description: Sm3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.73 Å) and one longer (2.85 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a distorted water-like geometry to two equivalent Co atoms. There are one shorter (2.78 Å) and one longer (2.88 Å) Sm–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Sm atoms.
DOI: 10.17188/1316288
title: Materials Data on Sm5Sb3 by Materials Project

description: Sm5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Sm–Sb bond distances ranging from 3.12–3.46 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Sm–Sb bond lengths are 3.27 Å. Sb is bonded in a 9-coordinate geometry to nine Sm atoms.
DOI: 10.17188/1316289
title: Materials Data on SmNiGe2 by Materials Project

description: SmNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.16–3.26 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are one shorter (2.32 Å) and four longer (2.40 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.
DOI: 10.17188/1316290
title: Materials Data on SmCu by Materials Project

description: SmCu crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to seven equivalent Cu atoms. There are a spread of Sm–Cu bond distances ranging from 2.88–3.06 Å. Cu is bonded in a 9-coordinate geometry to seven equivalent Sm and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.66 Å.
DOI: 10.17188/1316291
title: Materials Data on Rb3NbO8 by Materials Project

description: Rb3NbO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight O atoms to form RbO8 hexagonal bipyramids that share corners with four equivalent NbO8 hexagonal bipyramids, corners with four equivalent ORb3NbO trigonal bipyramids, and edges with two equivalent NbO8 hexagonal bipyramids. There are four shorter (2.97 Å) and four longer (3.01 Å) Rb–O bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to twelve O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.42 Å. Nb is bonded to eight O atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent RbO8 hexagonal bipyramids, corners with four equivalent ORb3NbO trigonal bipyramids, and edges with two equivalent RbO8 hexagonal bipyramids. There are four shorter (2.04 Å) and four longer (2.09 Å) Nb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three Rb, one Nb, and one O atom to form distorted ORb3NbO trigonal bipyramids that share a cornercorner with one RbO8 hexagonal bipyramid, a cornercorner with one NbO8 hexagonal bipyramid, corners with ten equivalent ORb3NbO trigonal bipyramids, and an edgeedge with one ORb3NbO trigonal bipyramid. The O–O bond length is 1.50 Å. In the second O site, O is bonded in a 1-coordinate geometry to five Rb, one Nb, and one O atom.
DOI: 10.17188/1316292
title: Materials Data on TmMn12 by Materials Project

description: TmMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.98–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tm and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnTm2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.31–2.55 Å. In the second Mn site, Mn is bonded to two equivalent Tm and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnTm2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.55–2.65 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Tm and thirteen Mn atoms. There are one shorter (2.30 Å) and four longer (2.83 Å) Mn–Mn bond lengths.
DOI: 10.17188/1316293
title: Materials Data on ZnSn3 by Materials Project

description: ZnSn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms. All Zn–Sn bond lengths are 3.20 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Sn atoms.
DOI: 10.17188/1316294
title: Materials Data on Y5(In2Pd)2 by Materials Project

description: Y5(PdIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 10-coordinate geometry to four equivalent Pd and six In atoms. All Y–Pd bond lengths are 2.99 Å. There are a spread of Y–In bond distances ranging from 3.34–3.41 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Y–Pd bond lengths are 2.88 Å. There are a spread of Y–In bond distances ranging from 3.25–3.38 Å. In the third Y site, Y is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.24 Å) and four longer (3.37 Å) Y–In bond lengths. Pd is bonded in a 9-coordinate geometry to six Y and three In atoms. There are a spread of Pd–In bond distances ranging from 2.97–3.31 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to eight Y, two equivalent Pd, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Y, one Pd, and one In atom.
DOI: 10.17188/1316295
title: Materials Data on Tb2Co12P7 by Materials Project

description: Tb2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six equivalent P3- atoms to form distorted TbP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with twelve CoP4 tetrahedra, and faces with two equivalent TbP6 pentagonal pyramids. All Tb–P bond lengths are 2.86 Å. In the second Tb3+ site, Tb3+ is bonded to six equivalent P3- atoms to form distorted TbP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, edges with nine CoP4 tetrahedra, and faces with two equivalent TbP6 pentagonal pyramids. All Tb–P bond lengths are 2.84 Å. There are four inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent TbP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, edges with three TbP6 pentagonal pyramids, and edges with three CoP4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.29 Å) Co–P bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent TbP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, edges with three TbP6 pentagonal pyramids, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.25–2.32 Å. In the third Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four TbP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one TbP6 pentagonal pyramid, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.13–2.27 Å. In the fourth Co+1.25+ site, Co+1.25+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.22–2.57 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tb3+ and seven Co+1.25+ atoms. In the second P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.25+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tb3+ and seven Co+1.25+ atoms.
DOI: 10.17188/1316296
title: Materials Data on Tb3Al2 by Materials Project

description: Tb3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are four shorter (3.11 Å) and two longer (3.14 Å) Tb–Al bond lengths. In the second Tb site, Tb is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Tb–Al bond lengths are 3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.09 Å) and four longer (3.24 Å) Tb–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Tb and two equivalent Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths.
DOI: 10.17188/1316297
title: Materials Data on Ti3N by Materials Project

description: Ti3N is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted square co-planar geometry to four equivalent N atoms. All Ti–N bond lengths are 2.61 Å. N is bonded to twelve equivalent Ti atoms to form a mixture of corner and face-sharing NTi12 cuboctahedra.
DOI: 10.17188/1316298
title: Materials Data on YTmMg2 by Materials Project

description: Mg2TmY 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 four equivalent Tm and four equivalent Y atoms. All Mg–Tm bond lengths are 3.27 Å. All Mg–Y bond lengths are 3.27 Å. Tm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Y is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1316299
title: Materials Data on YTmRh2 by Materials Project

description: TmYRh2 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 Rh atoms. All Tm–Rh bond lengths are 2.96 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.96 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Y atoms.
DOI: 10.17188/1316300
title: Materials Data on Yb3Y by Materials Project

description: Yb3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Y atoms to form YbYb8Y4 cuboctahedra that share corners with four equivalent YYb12 cuboctahedra, corners with fourteen equivalent YbYb8Y4 cuboctahedra, edges with six equivalent YYb12 cuboctahedra, edges with twelve equivalent YbYb8Y4 cuboctahedra, faces with four equivalent YYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Y4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.66–3.83 Å. There are two shorter (3.72 Å) and two longer (3.75 Å) Yb–Y bond lengths. Y is bonded to twelve equivalent Yb atoms to form YYb12 cuboctahedra that share corners with six equivalent YYb12 cuboctahedra, corners with twelve equivalent YbYb8Y4 cuboctahedra, edges with eighteen equivalent YbYb8Y4 cuboctahedra, faces with eight equivalent YYb12 cuboctahedra, and faces with twelve equivalent YbYb8Y4 cuboctahedra.
DOI: 10.17188/1316301
title: Materials Data on Ti3Nb by Materials Project

description: Ti3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Nb atoms to form TiTi8Nb4 cuboctahedra that share corners with twelve equivalent TiTi8Nb4 cuboctahedra, edges with eight equivalent NbTi12 cuboctahedra, edges with sixteen equivalent TiTi8Nb4 cuboctahedra, faces with four equivalent NbTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Nb4 cuboctahedra. All Ti–Ti bond lengths are 2.92 Å. All Ti–Nb bond lengths are 2.92 Å. Nb is bonded to twelve equivalent Ti atoms to form NbTi12 cuboctahedra that share corners with twelve equivalent NbTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Nb4 cuboctahedra, faces with six equivalent NbTi12 cuboctahedra, and faces with twelve equivalent TiTi8Nb4 cuboctahedra.
DOI: 10.17188/1316302
title: Materials Data on Sr3Cr by Materials Project

description: Sr3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Cr atoms to form distorted SrSr8Cr4 cuboctahedra that share corners with twelve equivalent SrSr8Cr4 cuboctahedra, edges with eight equivalent CrSr12 cuboctahedra, edges with sixteen equivalent SrSr8Cr4 cuboctahedra, faces with four equivalent CrSr12 cuboctahedra, and faces with fourteen equivalent SrSr8Cr4 cuboctahedra. All Sr–Sr bond lengths are 3.91 Å. All Sr–Cr bond lengths are 3.91 Å. Cr is bonded to twelve equivalent Sr atoms to form CrSr12 cuboctahedra that share corners with twelve equivalent CrSr12 cuboctahedra, edges with twenty-four equivalent SrSr8Cr4 cuboctahedra, faces with six equivalent CrSr12 cuboctahedra, and faces with twelve equivalent SrSr8Cr4 cuboctahedra.
DOI: 10.17188/1316303
title: Materials Data on WCl4 by Materials Project

description: WCl4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two WCl4 ribbons oriented in the (0, 1, 0) direction. W4+ is bonded to six Cl1- atoms to form edge-sharing WCl6 octahedra. There are a spread of W–Cl bond distances ranging from 2.31–2.53 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent W4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W4+ atom.
DOI: 10.17188/1316304
title: Materials Data on SrF2 by Materials Project

description: SrF2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Sr–F bond lengths are 2.54 Å. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra.
DOI: 10.17188/1316305
title: Materials Data on TlFeSe2 by Materials Project

description: TlFeSe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Fe3+ is bonded to four Se2- atoms to form edge-sharing FeSe4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.34 Å) Fe–Se bond lengths. Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.27–3.70 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Fe3+ and three equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Fe3+ and four equivalent Tl1+ atoms.
DOI: 10.17188/1316306
title: Materials Data on Sr3CdO4 by Materials Project

description: Sr3CdO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.55 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with twelve equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Sr bond lengths are 2.55 Å. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1316307
title: Materials Data on TbGeO3 by Materials Project

description: TbGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb3+ is bonded to twelve equivalent O2- atoms to form TbO12 cuboctahedra that share corners with twelve equivalent TbO12 cuboctahedra, faces with six equivalent TbO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Tb–O bond lengths are 2.77 Å. Ge3+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent TbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent Tb3+ and two equivalent Ge3+ atoms.
DOI: 10.17188/1316308
title: Materials Data on ZnCO3 by Materials Project

description: ZnCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Zn–O bond lengths are 2.15 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one C4+ atom.