cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350226
title: Materials Data on Ba2Zn by Materials Project

description: Ba2Zn crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ba2Zn sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 4-coordinate geometry to four equivalent Zn atoms. All Ba–Zn bond lengths are 3.54 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1350227
title: Materials Data on YSb2 by Materials Project

description: YSb2 is trigonal omega structured and crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of one YSb2 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 4-coordinate geometry to four equivalent Sb+1.50- atoms. All Y–Sb bond lengths are 3.06 Å. Sb+1.50- is bonded in a 2-coordinate geometry to two equivalent Y3+ atoms.
DOI: 10.17188/1350228
title: Materials Data on CePd by Materials Project

description: CePd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Ce–Pd bond distances ranging from 3.01–3.15 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Ce atoms.
DOI: 10.17188/1350229
title: Materials Data on Zr2Cd by Materials Project

description: Zr2Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Cd atoms to form ZrZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent ZrZr8Cd4 cuboctahedra, edges with twelve equivalent CdZr8Cd4 cuboctahedra, faces with five equivalent CdZr8Cd4 cuboctahedra, and faces with thirteen equivalent ZrZr8Cd4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.17 Å) Zr–Zr bond lengths. All Zr–Cd bond lengths are 3.21 Å. Cd is bonded to eight equivalent Zr and four equivalent Cd atoms to form CdZr8Cd4 cuboctahedra that share corners with four equivalent CdZr8Cd4 cuboctahedra, corners with eight equivalent ZrZr8Cd4 cuboctahedra, edges with twenty-four equivalent ZrZr8Cd4 cuboctahedra, faces with eight equivalent CdZr8Cd4 cuboctahedra, and faces with ten equivalent ZrZr8Cd4 cuboctahedra. All Cd–Cd bond lengths are 3.13 Å.
DOI: 10.17188/1350230
title: Materials Data on BaC2 by Materials Project

description: BaC2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent C1- atoms. There are six shorter (3.08 Å) and two longer (3.10 Å) Ba–C bond lengths. C1- is bonded to four equivalent Ba2+ and one C1- atom to form a mixture of distorted corner and edge-sharing CBa4C trigonal bipyramids. The C–C bond length is 1.27 Å.
DOI: 10.17188/1350231
title: Materials Data on CrCo2Bi by Materials Project

description: Co2CrBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Bi atoms. All Cr–Co bond lengths are 2.67 Å. All Cr–Bi bond lengths are 3.09 Å. Co is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Bi atoms. All Co–Bi bond lengths are 2.67 Å. Bi is bonded in a distorted body-centered cubic geometry to six equivalent Cr and eight equivalent Co atoms.
DOI: 10.17188/1350232
title: Materials Data on CaZnSe2 by Materials Project

description: CaZnSe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.83 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.53 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Zn2+ atoms to form corner-sharing SeCa2Zn2 tetrahedra.
DOI: 10.17188/1350233
title: Materials Data on CrCo2Sb by Materials Project

description: Co2CrSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Sb atoms. All Cr–Co bond lengths are 2.60 Å. All Cr–Sb bond lengths are 3.00 Å. Co is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Sb atoms. All Co–Sb bond lengths are 2.60 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Cr and eight equivalent Co atoms.
DOI: 10.17188/1350234
title: Materials Data on Ba2NCl by Materials Project

description: Ba2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of edge and corner-sharing BaN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.83 Å. All Ba–Cl bond lengths are 3.36 Å. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent ClBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six equivalent ClBa6 octahedra. The corner-sharing octahedral tilt angles are 13°. Cl1- is bonded to six equivalent Ba2+ atoms to form distorted ClBa6 octahedra that share corners with six equivalent NBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six equivalent ClBa6 octahedra. The corner-sharing octahedral tilt angles are 13°.
DOI: 10.17188/1350235
title: Materials Data on Li by Materials Project

description: Li is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the second Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. All Li–Li bond lengths are 3.06 Å. In the third Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fourth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths. In the fifth Li site, Li is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing LiLi12 cuboctahedra. There are three shorter (3.04 Å) and six longer (3.06 Å) Li–Li bond lengths.
DOI: 10.17188/1350236
title: Materials Data on BaGaGeH by Materials Project

description: BaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge and three equivalent H atoms. All Ba–Ge bond lengths are 3.45 Å. All Ba–H bond lengths are 2.60 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.59 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ba and three equivalent Ga atoms. H is bonded to three equivalent Ba and one Ga atom to form corner-sharing HBa3Ga tetrahedra.
DOI: 10.17188/1350237
title: Materials Data on GaP by Materials Project

description: GaP crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three GaP sheets oriented in the (0, 0, 1) direction. Ga3+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All Ga–P bond lengths are 2.40 Å. P3- is bonded to three equivalent Ga3+ and one P3- atom to form corner-sharing PGa3P tetrahedra. The P–P bond length is 2.21 Å.
DOI: 10.17188/1350238
title: Materials Data on TiPd2 by Materials Project

description: TiPd2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to ten equivalent Pd atoms. There are eight shorter (2.69 Å) and two longer (3.01 Å) Ti–Pd bond lengths. Pd is bonded in a 10-coordinate geometry to five equivalent Ti atoms.
DOI: 10.17188/1350239
title: Materials Data on PbS by Materials Project

description: PbS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two PbS sheets oriented in the (0, 1, 0) direction. Pb2+ is bonded to five equivalent S2- atoms to form a mixture of corner and edge-sharing PbS5 square pyramids. There are one shorter (2.71 Å) and four longer (3.01 Å) Pb–S bond lengths. S2- is bonded to five equivalent Pb2+ atoms to form a mixture of corner and edge-sharing SPb5 square pyramids.
DOI: 10.17188/1350240
title: Materials Data on Ti2InFe by Materials Project

description: Ti2FeIn crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent In atoms. All Ti–Ti bond lengths are 2.76 Å. All Ti–Fe bond lengths are 3.19 Å. All Ti–In bond lengths are 2.76 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent In atoms. All Ti–Fe bond lengths are 2.76 Å. All Ti–In bond lengths are 3.19 Å. Fe is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent In atoms. All Fe–In bond lengths are 2.76 Å. In is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Fe atoms.
DOI: 10.17188/1350241
title: Materials Data on ScAu2 by Materials Project

description: Au2Sc crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (2.91 Å) and two longer (2.99 Å) Sc–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Sc2+ atoms.
DOI: 10.17188/1350242
title: Materials Data on LiHPd by Materials Project

description: LiPdH crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li is bonded in a linear geometry to eight equivalent Pd and two equivalent H atoms. All Li–Pd bond lengths are 2.79 Å. Both Li–H bond lengths are 1.96 Å. Pd is bonded to eight equivalent Li and four equivalent H atoms to form a mixture of face, edge, and corner-sharing PdLi8H4 cuboctahedra. All Pd–H bond lengths are 1.99 Å. H is bonded in a distorted linear geometry to two equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1350243
title: Materials Data on Ga2BiAs by Materials Project

description: Ga2BiAs is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ga is bonded to two equivalent Bi and two equivalent As atoms to form corner-sharing GaBi2As2 tetrahedra. Both Ga–Bi bond lengths are 2.73 Å. Both Ga–As bond lengths are 2.56 Å. Bi is bonded to four equivalent Ga atoms to form BiGa4 tetrahedra that share corners with four equivalent BiGa4 tetrahedra and corners with eight equivalent AsGa4 tetrahedra. As is bonded to four equivalent Ga atoms to form AsGa4 tetrahedra that share corners with four equivalent AsGa4 tetrahedra and corners with eight equivalent BiGa4 tetrahedra.
DOI: 10.17188/1350244
title: Materials Data on CrAgTe2 by Materials Project

description: CrAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. There are three shorter (2.75 Å) and three longer (2.80 Å) Cr–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.72 Å) and three longer (2.91 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted corner-sharing TeCr3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Ag1+ atoms.
DOI: 10.17188/1350245
title: Materials Data on CeRh by Materials Project

description: CeRh crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to seven equivalent Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.28 Å. Rh is bonded in a 5-coordinate geometry to seven equivalent Ce atoms.
DOI: 10.17188/1350246
title: Materials Data on Zr2Zn by Materials Project

description: ZnZr2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two ZnZr2 sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 12-coordinate geometry to four equivalent Zn atoms. All Zr–Zn bond lengths are 2.94 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.
DOI: 10.17188/1350247
title: Materials Data on KTiS2 by Materials Project

description: KTiS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (3.10 Å) and three longer (3.15 Å) K–S bond lengths. Ti3+ is bonded to six S2- atoms to form edge-sharing TiS6 octahedra. There are three shorter (2.51 Å) and three longer (2.52 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent K1+ and three equivalent Ti3+ atoms to form distorted edge-sharing SK3Ti3 octahedra. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Ti3+ atoms.
DOI: 10.17188/1350248
title: Materials Data on ErSb2 by Materials Project

description: ErSb2 is trigonal omega structured and crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of one ErSb2 sheet oriented in the (0, 0, 1) direction. Er3+ is bonded in a 4-coordinate geometry to four equivalent Sb+1.50- atoms. All Er–Sb bond lengths are 3.04 Å. Sb+1.50- is bonded in a 2-coordinate geometry to two equivalent Er3+ atoms.
DOI: 10.17188/1350249
title: Materials Data on MgNi by Materials Project

description: MgNi is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mg–Ni bond lengths are 2.64 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1350250
title: Materials Data on YAu2 by Materials Project

description: Au2Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are eight shorter (3.05 Å) and two longer (3.06 Å) Y–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Y atoms.
DOI: 10.17188/1350251
title: Materials Data on ScCu2 by Materials Project

description: ScCu2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted q6 geometry to ten equivalent Cu atoms. All Sc–Cu bond lengths are 2.75 Å. Cu is bonded in a 10-coordinate geometry to five equivalent Sc atoms.
DOI: 10.17188/1350252
title: Materials Data on LiCdAs by Materials Project

description: LiCdAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with twelve equivalent LiAs4 tetrahedra, and edges with six equivalent CdAs4 tetrahedra. All Li–As bond lengths are 2.75 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent LiAs4 tetrahedra, corners with twelve equivalent CdAs4 tetrahedra, and edges with six equivalent LiAs4 tetrahedra. All Cd–As bond lengths are 2.75 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Cd2+ atoms.
DOI: 10.17188/1350253
title: Materials Data on BaGaSnH by Materials Project

description: BaGaSnH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal planar geometry to three equivalent Sn and three equivalent H atoms. All Ba–Sn bond lengths are 3.64 Å. All Ba–H bond lengths are 2.71 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Sn and one H atom. All Ga–Sn bond lengths are 2.75 Å. The Ga–H bond length is 1.75 Å. Sn is bonded in a 6-coordinate geometry to three equivalent Ba and three equivalent Ga atoms. H is bonded to three equivalent Ba and one Ga atom to form distorted corner-sharing HBa3Ga trigonal pyramids.
DOI: 10.17188/1350254
title: Materials Data on EuPd by Materials Project

description: EuPd crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.15–3.22 Å. Pd is bonded in a 9-coordinate geometry to seven equivalent Eu and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.86 Å.
DOI: 10.17188/1350255
title: Materials Data on GdCoC2 by Materials Project

description: GdCoC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent C+2.50- atoms. All Gd–C bond lengths are 2.67 Å. Co2+ is bonded in a 4-coordinate geometry to four equivalent C+2.50- atoms. There is two shorter (1.95 Å) and two longer (1.99 Å) Co–C bond length. C+2.50- is bonded in a 7-coordinate geometry to four equivalent Gd3+, two equivalent Co2+, and one C+2.50- atom. The C–C bond length is 1.38 Å.
DOI: 10.17188/1350256
title: Materials Data on CeAu by Materials Project

description: CeAu crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to seven equivalent Au atoms. There are a spread of Ce–Au bond distances ranging from 3.12–3.23 Å. Au is bonded in a 7-coordinate geometry to seven equivalent Ce atoms.
DOI: 10.17188/1350257
title: Materials Data on CeBiPt by Materials Project

description: CeBiPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing CeBi6Pt4 tetrahedra. All Ce–Pt bond lengths are 2.98 Å. All Ce–Bi bond lengths are 3.44 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.98 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pt atoms.
DOI: 10.17188/1350261
title: Materials Data on HfN2 by Materials Project

description: HfN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf4+ is bonded in a 6-coordinate geometry to six equivalent N2- atoms. All Hf–N bond lengths are 2.22 Å. N2- is bonded in a 4-coordinate geometry to three equivalent Hf4+ and one N2- atom. The N–N bond length is 1.43 Å.
DOI: 10.17188/1350262
title: Materials Data on YPt3C by Materials Project

description: YCPt3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one yttrium molecule and one CPt3 framework. In the CPt3 framework, Pt+0.33+ is bonded in a linear geometry to two equivalent C4- atoms. Both Pt–C bond lengths are 2.16 Å. C4- is bonded to six equivalent Pt+0.33+ atoms to form corner-sharing CPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350263
title: Materials Data on DyAlZn by Materials Project

description: DyZnAl is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to six equivalent Zn and six equivalent Al atoms to form a mixture of face and edge-sharing DyAl6Zn6 cuboctahedra. All Dy–Zn bond lengths are 3.15 Å. All Dy–Al bond lengths are 3.15 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Zn–Al bond lengths are 2.59 Å. Al is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Zn atoms.
DOI: 10.17188/1350264
title: Materials Data on YBPt3 by Materials Project

description: YPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent Pt2- atoms to form YPt12 cuboctahedra that share corners with twelve equivalent YPt12 cuboctahedra, faces with six equivalent YPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All Y–Pt bond lengths are 3.07 Å. Pt2- is bonded to four equivalent Y3+ and two equivalent B3+ atoms to form a mixture of distorted corner, edge, and face-sharing PtY4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.17 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent YPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350265
title: Materials Data on ScBPt3 by Materials Project

description: ScPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All Sc–Pt bond lengths are 3.01 Å. Pt2- is bonded to four equivalent Sc3+ and two equivalent B3+ atoms to form a mixture of distorted face, edge, and corner-sharing PtSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.13 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350266
title: Materials Data on TiSnO3 by Materials Project

description: SnTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.98 Å. Sn2+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share corners with twelve equivalent SnO12 cuboctahedra, faces with six equivalent SnO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Sn–O bond lengths are 2.79 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ and four equivalent Sn2+ atoms.