cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1191695
title: Materials Data on Th(GeAu)2 by Materials Project

description: Th(AuGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Au and eight equivalent Ge atoms. All Th–Au bond lengths are 3.46 Å. All Th–Ge bond lengths are 3.37 Å. Au is bonded to four equivalent Th and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing AuTh4Ge4 tetrahedra. All Au–Ge bond lengths are 2.64 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.45 Å.
DOI: 10.17188/1191696
title: Materials Data on SnSb by Materials Project

description: SnSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn2+ is bonded in a body-centered cubic geometry to eight equivalent Sb2- atoms. All Sn–Sb bond lengths are 3.29 Å. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Sn2+ atoms.
DOI: 10.17188/1191697
title: Materials Data on Th(SiAu)2 by Materials Project

description: Th(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.30 Å. Au2+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Au2+, and one Si4- atom. The Si–Si bond length is 2.32 Å.
DOI: 10.17188/1191698
title: Materials Data on Yb(SiAu)2 by Materials Project

description: YbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Yb–Au bond lengths are 3.32 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ and four equivalent Si atoms. All Au–Si bond lengths are 2.57 Å. Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.30 Å.
DOI: 10.17188/1191699
title: Materials Data on BaCaGe by Materials Project

description: BaCaGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.75 Å. Ca is bonded to four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CaGe4 tetrahedra. There are a spread of Ca–Ge bond distances ranging from 3.13–3.18 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.
DOI: 10.17188/1191700
title: Materials Data on BaCaSi by Materials Project

description: BaCaSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with eight equivalent CaSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with six equivalent CaSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ba–Si bond distances ranging from 3.40–3.73 Å. Ca2+ is bonded to four equivalent Si4- atoms to form CaSi4 tetrahedra that share corners with eight equivalent CaSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with two equivalent CaSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ca–Si bond distances ranging from 3.10–3.15 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Ca2+ atoms.
DOI: 10.17188/1191701
title: Materials Data on BaCuP by Materials Project

description: BaCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ba–P bond lengths are 3.36 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.44 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1191702
title: Materials Data on CaCdGe by Materials Project

description: CaCdGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to six equivalent Cd and five Ge atoms. There are two shorter (3.30 Å) and four longer (3.52 Å) Ca–Cd bond lengths. There are one shorter (3.09 Å) and four longer (3.16 Å) Ca–Ge bond lengths. Cd is bonded in a 12-coordinate geometry to six equivalent Ca, two equivalent Cd, and four Ge atoms. Both Cd–Cd bond lengths are 3.26 Å. There are two shorter (2.80 Å) and two longer (2.94 Å) Cd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Cd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Cd atoms.
DOI: 10.17188/1191703
title: Materials Data on Ca(GeIr)2 by Materials Project

description: Ca(IrGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.35 Å. All Ca–Ge bond lengths are 3.24 Å. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.61 Å.
DOI: 10.17188/1191704
title: Materials Data on Ca(GePd)2 by Materials Project

description: Ca(PdGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Ca–Pd bond lengths are 3.35 Å. All Ca–Ge bond lengths are 3.34 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1191705
title: Materials Data on Ca(GeRh)2 by Materials Project

description: Ca(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Ca–Rh bond lengths are 3.36 Å. All Ca–Ge bond lengths are 3.24 Å. Rh is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhCa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.65 Å.
DOI: 10.17188/1191706
title: Materials Data on CaZnGe by Materials Project

description: CaZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing CaZn6Ge6 cuboctahedra. All Ca–Zn bond lengths are 3.23 Å. All Ca–Ge bond lengths are 3.23 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a 3-coordinate geometry to six equivalent Ca and three equivalent Zn atoms.
DOI: 10.17188/1191707
title: Materials Data on LiCaSb by Materials Project

description: CaLiSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with eight equivalent CaSb5 square pyramids, corners with eight equivalent LiSb4 tetrahedra, edges with six equivalent CaSb5 square pyramids, and edges with two equivalent LiSb4 tetrahedra. There are a spread of Li–Sb bond distances ranging from 2.80–2.94 Å. Ca2+ is bonded to five equivalent Sb3- atoms to form distorted CaSb5 square pyramids that share corners with eight equivalent CaSb5 square pyramids, corners with eight equivalent LiSb4 tetrahedra, edges with six equivalent CaSb5 square pyramids, and edges with six equivalent LiSb4 tetrahedra. There are a spread of Ca–Sb bond distances ranging from 3.21–3.32 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Li1+ and five equivalent Ca2+ atoms.
DOI: 10.17188/1191708
title: Materials Data on CaZnSi by Materials Project

description: CaZnSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing CaSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–Si bond lengths are 3.20 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.45 Å. Si4- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Zn2+ atoms.
DOI: 10.17188/1191709
title: Materials Data on Dy2CdS4 by Materials Project

description: Dy2CdS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent S2- atoms to form DyS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent DyS6 octahedra. All Dy–S bond lengths are 2.74 Å. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cd–S bond lengths are 2.59 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Dy3+ and one Cd2+ atom.
DOI: 10.17188/1191748
title: Materials Data on CdGeP2 by Materials Project

description: CdGeP2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Cd–P bond lengths are 2.89 Å. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ge–P bond lengths are 2.89 Å. P3- is bonded in a body-centered cubic geometry to four equivalent Cd2+ and four equivalent Ge4+ atoms.
DOI: 10.17188/1191749
title: Materials Data on Mo2S3 by Materials Project

description: Mo2S3 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing MoS6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Mo–S bond distances ranging from 2.37–2.69 Å. In the second Mo3+ site, Mo3+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing MoS6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Mo–S bond distances ranging from 2.34–2.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four Mo3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Mo3+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo3+ atoms.
DOI: 10.17188/1191750
title: Materials Data on Li2CdSb by Materials Project

description: Li2CdSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Sb atoms. All Li–Cd bond lengths are 2.95 Å. All Li–Sb bond lengths are 2.95 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Sb is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1191751
title: Materials Data on Ce(FeP3)4 by Materials Project

description: CeFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Ce–P bond lengths are 2.98 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.36 Å) P–P bond lengths.
DOI: 10.17188/1191752
title: Materials Data on CeScGe by Materials Project

description: CeScGe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are four shorter (3.15 Å) and one longer (3.18 Å) Ce–Ge bond lengths. Sc is bonded in a distorted square co-planar geometry to four equivalent Ge atoms. All Sc–Ge bond lengths are 2.92 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Sc atoms.
DOI: 10.17188/1191753
title: Materials Data on TeRh by Materials Project

description: RhTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to two equivalent Rh and six equivalent Te atoms to form a mixture of distorted edge, corner, and face-sharing RhTe6Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. Both Rh–Rh bond lengths are 2.86 Å. All Rh–Te bond lengths are 2.75 Å. Te is bonded in a 6-coordinate geometry to six equivalent Rh atoms.
DOI: 10.17188/1191754
title: Materials Data on Ca2Sb2O7 by Materials Project

description: Ca2Sb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.46 Å) and four longer (2.74 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded to eight O2- atoms to form distorted CaO8 hexagonal bipyramids that share corners with two equivalent CaO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Ca–O bond distances ranging from 2.27–2.83 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent CaO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 44–46°. There is four shorter (1.99 Å) and two longer (2.00 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent CaO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent CaO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. There are two shorter (1.99 Å) and four longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to three Ca2+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCa3Sb tetrahedra.
DOI: 10.17188/1191755
title: Materials Data on Cd2Sb2O7 by Materials Project

description: Cd2Sb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.74 Å) Cd–O bond lengths. In the second Cd2+ site, Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share corners with two equivalent CdO8 hexagonal bipyramids, corners with two equivalent SbO6 octahedra, and edges with six SbO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cd–O bond distances ranging from 2.22–2.83 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with four equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 44–45°. There is two shorter (1.98 Å) and four longer (1.99 Å) Sb–O bond length. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent CdO8 hexagonal bipyramids, corners with four equivalent SbO6 octahedra, and edges with two equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are four shorter (2.01 Å) and two longer (2.04 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Cd2+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to three Cd2+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing OCd3Sb tetrahedra.
DOI: 10.17188/1191756
title: Materials Data on NdRh3C by Materials Project

description: NdRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Rh atoms to form NdRh12 cuboctahedra that share corners with twelve equivalent NdRh12 cuboctahedra, faces with six equivalent NdRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Nd–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Nd and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhNd4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.12 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent NdRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1191757
title: Materials Data on Th2Au by Materials Project

description: Th2Au is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Au atoms. All Th–Au bond lengths are 3.20 Å. Au is bonded in a 10-coordinate geometry to eight equivalent Th atoms.
DOI: 10.17188/1191758
title: Materials Data on ZnNi3C by Materials Project

description: ZnCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Zn and two equivalent C atoms. All Ni–Zn bond lengths are 2.66 Å. Both Ni–C bond lengths are 1.88 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, faces with six equivalent ZnNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent ZnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1191759
title: Materials Data on NaZr2PdF11 by Materials Project

description: NaZr2PdF11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to eight F1- atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent ZrF7 pentagonal bipyramids, edges with two equivalent PdF6 octahedra, and edges with four equivalent ZrF7 pentagonal bipyramids. There are a spread of Na–F bond distances ranging from 2.27–2.77 Å. Zr4+ is bonded to seven F1- atoms to form ZrF7 pentagonal bipyramids that share a cornercorner with one NaF8 hexagonal bipyramid, corners with three equivalent PdF6 octahedra, a cornercorner with one ZrF7 pentagonal bipyramid, edges with two equivalent NaF8 hexagonal bipyramids, and an edgeedge with one ZrF7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 5–34°. There are a spread of Zr–F bond distances ranging from 1.99–2.18 Å. Pd2+ is bonded to six F1- atoms to form PdF6 octahedra that share corners with six equivalent ZrF7 pentagonal bipyramids and edges with two equivalent NaF8 hexagonal bipyramids. There are two shorter (2.19 Å) and four longer (2.20 Å) Pd–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Na1+, one Zr4+, and one Pd2+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to one Zr4+ and one Pd2+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to one Na1+ and one Zr4+ atom.
DOI: 10.17188/1191760
title: Materials Data on KSbO3 by Materials Project

description: KSbO3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Sb5+ is bonded to six equivalent O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Sb–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sb5+ atoms.
DOI: 10.17188/1191761
title: Materials Data on Sc2C3 by Materials Project

description: Sc2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sc2+ is bonded in a 6-coordinate geometry to nine equivalent C+1.33- atoms. There are a spread of Sc–C bond distances ranging from 2.34–2.65 Å. C+1.33- is bonded to six equivalent Sc2+ and one C+1.33- atom to form a mixture of distorted corner, edge, and face-sharing CSc6C trigonal bipyramids. The C–C bond length is 1.34 Å.
DOI: 10.17188/1191762
title: Materials Data on Sc3SnC by Materials Project

description: Sc3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Sc–Sn bond lengths are 3.21 Å. Both Sc–C bond lengths are 2.27 Å. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.