cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1190198
title: Materials Data on S5N6 by Materials Project

description: N6S5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. there are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.67+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+1.67+ atoms.
DOI: 10.17188/1190199
title: Materials Data on NdPO4 by Materials Project

description: NdPO4 is Zircon-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent O2- atoms to form distorted NdO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with four equivalent NdO8 hexagonal bipyramids, and edges with two equivalent PO4 tetrahedra. There are four shorter (2.43 Å) and four longer (2.56 Å) Nd–O bond lengths. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent NdO8 hexagonal bipyramids and edges with two equivalent NdO8 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+ and one P5+ atom.
DOI: 10.17188/1190200
title: Materials Data on Na2UF6 by Materials Project

description: Na2UF6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.34–2.89 Å. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.25 Å) and six longer (2.40 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing FNa2U2 tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to four equivalent Na1+ and one U4+ atom.
DOI: 10.17188/1190201
title: Materials Data on K2ThF6 by Materials Project

description: K2ThF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.65 Å) and six longer (2.92 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.30 Å) and six longer (2.46 Å) Th–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Th4+ atoms to form a mixture of corner and edge-sharing FK2Th2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Th4+ atom.
DOI: 10.17188/1190203
title: Materials Data on K3Cu3As2 by Materials Project

description: K3Cu3As2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form KAs4 trigonal pyramids that share corners with three equivalent KAs6 cuboctahedra, corners with six equivalent KAs4 trigonal pyramids, edges with three equivalent KAs4 trigonal pyramids, and faces with three equivalent KAs6 cuboctahedra. All K–As bond lengths are 3.36 Å. In the second K1+ site, K1+ is bonded to six equivalent As3- atoms to form distorted KAs6 cuboctahedra that share corners with six equivalent KAs4 trigonal pyramids, edges with six equivalent KAs6 cuboctahedra, and faces with six equivalent KAs4 trigonal pyramids. All K–As bond lengths are 3.79 Å. Cu1+ is bonded in a linear geometry to two equivalent As3- atoms. Both Cu–As bond lengths are 2.37 Å. As3- is bonded in a 10-coordinate geometry to seven K1+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1190554
title: Materials Data on K3Ag3As2 by Materials Project

description: K3Ag3As2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing KAs4 trigonal pyramids. There are one shorter (3.32 Å) and three longer (3.52 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.91 Å. Ag1+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ag–As bond lengths are 2.58 Å. As3- is bonded in a 7-coordinate geometry to seven K1+ and three equivalent Ag1+ atoms.
DOI: 10.17188/1190555
title: Materials Data on Ba(ZnSb)2 by Materials Project

description: BaZn2Sb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ba–Sb bond distances ranging from 3.53–3.78 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.71–2.80 Å. In the second Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.85 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four Zn2+ atoms.
DOI: 10.17188/1190556
title: Materials Data on LiYSi by Materials Project

description: LiYSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li1+ is bonded to four Si4- atoms to form LiSi4 tetrahedra that share corners with six equivalent YSi5 square pyramids, corners with ten equivalent LiSi4 tetrahedra, edges with six equivalent YSi5 square pyramids, and edges with two equivalent LiSi4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.77 Å) Li–Si bond lengths. Y3+ is bonded to five Si4- atoms to form YSi5 square pyramids that share corners with ten equivalent YSi5 square pyramids, corners with six equivalent LiSi4 tetrahedra, edges with six equivalent YSi5 square pyramids, and edges with six equivalent LiSi4 tetrahedra. There are four shorter (2.98 Å) and one longer (2.99 Å) Y–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Li1+ and three equivalent Y3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Li1+ and six equivalent Y3+ atoms.
DOI: 10.17188/1190557
title: Materials Data on LiYGe by Materials Project

description: LiYGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are two shorter (2.70 Å) and two longer (2.79 Å) Li–Ge bond lengths. Y is bonded in a 5-coordinate geometry to five Ge atoms. All Y–Ge bond lengths are 3.00 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Y atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Y atoms.
DOI: 10.17188/1190558
title: Materials Data on LiGdGe by Materials Project

description: LiGdGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are two shorter (2.72 Å) and two longer (2.81 Å) Li–Ge bond lengths. Gd is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (3.02 Å) and four longer (3.03 Å) Gd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Gd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Gd atoms.
DOI: 10.17188/1190559
title: Materials Data on Sr4GeP4 by Materials Project

description: Sr4GeP4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six P3- atoms to form distorted SrP6 octahedra that share corners with six SrP6 octahedra, corners with three GeP4 tetrahedra, edges with twelve SrP6 octahedra, and a faceface with one GeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–17°. There are a spread of Sr–P bond distances ranging from 3.10–3.26 Å. In the second Sr2+ site, Sr2+ is bonded to six P3- atoms to form distorted SrP6 octahedra that share corners with six equivalent SrP6 octahedra, corners with three equivalent GeP4 tetrahedra, edges with twelve SrP6 octahedra, and a faceface with one GeP4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are three shorter (3.14 Å) and three longer (3.26 Å) Sr–P bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with twelve SrP6 octahedra and faces with four equivalent SrP6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. All Ge–P bond lengths are 2.38 Å. In the second Ge4+ site, Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with twelve equivalent SrP6 octahedra and faces with four equivalent SrP6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ge–P bond lengths are 2.37 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six Sr2+ and one Ge4+ atom to form a mixture of distorted edge, corner, and face-sharing PSr6Ge pentagonal bipyramids. In the second P3- site, P3- is bonded to six Sr2+ and one Ge4+ atom to form a mixture of distorted edge, corner, and face-sharing PSr6Ge pentagonal bipyramids.
DOI: 10.17188/1190560
title: Materials Data on Ba4SiP4 by Materials Project

description: Ba4SiP4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Ba–Si bond length is 3.31 Å. There are a spread of Ba–P bond distances ranging from 3.32–3.40 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to one Si4- and six P1- atoms. The Ba–Si bond length is 3.32 Å. There are three shorter (3.35 Å) and three longer (3.36 Å) Ba–P bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted tetrahedral geometry to four equivalent Ba2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.32 Å. In the second Si4- site, Si4- is bonded in a distorted tetrahedral geometry to four equivalent Ba2+ and four equivalent P1- atoms. All Si–P bond lengths are 2.31 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to six Ba2+ and one Si4- atom. In the second P1- site, P1- is bonded in a 7-coordinate geometry to six Ba2+ and one Si4- atom.
DOI: 10.17188/1190561
title: Materials Data on Ba4GeP4 by Materials Project

description: Ba4GeP4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six P3- atoms to form distorted BaP6 octahedra that share corners with six BaP6 octahedra, corners with three GeP4 tetrahedra, edges with twelve BaP6 octahedra, and a faceface with one GeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–20°. There are a spread of Ba–P bond distances ranging from 3.31–3.41 Å. In the second Ba2+ site, Ba2+ is bonded to six P3- atoms to form distorted BaP6 octahedra that share corners with six equivalent BaP6 octahedra, corners with three equivalent GeP4 tetrahedra, edges with twelve BaP6 octahedra, and a faceface with one GeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–18°. There are three shorter (3.35 Å) and three longer (3.39 Å) Ba–P bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with twelve BaP6 octahedra and faces with four equivalent BaP6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. All Ge–P bond lengths are 2.41 Å. In the second Ge4+ site, Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with twelve equivalent BaP6 octahedra and faces with four equivalent BaP6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ge–P bond lengths are 2.39 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to six Ba2+ and one Ge4+ atom. In the second P3- site, P3- is bonded to six Ba2+ and one Ge4+ atom to form a mixture of distorted edge, corner, and face-sharing PBa6Ge pentagonal bipyramids.
DOI: 10.17188/1190562
title: Materials Data on Ga8(Pb3O7)3 by Materials Project

description: Ga8(Pb3O7)3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.88 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is one shorter (1.82 Å) and three longer (1.88 Å) Ga–O bond length. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.94 Å. In the second Pb2+ site, Pb2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.57 Å) and six longer (2.76 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.29 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ga3+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ga3+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ga3+ and three Pb2+ atoms. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms.
DOI: 10.17188/1190563
title: Materials Data on GdPt2 by Materials Project

description: GdPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Gd–Pt bond lengths are 3.21 Å. Pt is bonded to six equivalent Gd and six equivalent Pt atoms to form a mixture of face, edge, and corner-sharing PtGd6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.73 Å.
DOI: 10.17188/1190564
title: Materials Data on TlGaO2 by Materials Project

description: TlGaO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Tl–O bond distances ranging from 3.47–3.51 Å. Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. All Ga–O bond lengths are 1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to six equivalent Tl1+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to six equivalent Tl1+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1190565
title: Materials Data on Ba2YbSbO6 by Materials Project

description: Yb(BaO3)2Sb is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four antimony molecules, four ytterbium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.33 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1190566
title: Materials Data on Ba2YSbO6 by Materials Project

description: Ba2YSbO6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four antimony molecules, four yttrium molecules, and one BaO3 framework. In the BaO3 framework, Ba2+ is bonded to six equivalent O2- atoms to form corner-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–O bond lengths are 2.34 Å. O2- is bonded in a linear geometry to two equivalent Ba2+ atoms.
DOI: 10.17188/1190567
title: Materials Data on HoC2 by Materials Project

description: HoC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a distorted q4 geometry to ten equivalent C atoms. There are two shorter (2.44 Å) and eight longer (2.66 Å) Ho–C bond lengths. C is bonded in a 6-coordinate geometry to five equivalent Ho and one C atom. The C–C bond length is 1.30 Å.
DOI: 10.17188/1190568
title: Materials Data on LiBO2 by Materials Project

description: LiBO2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.98 Å. B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.49 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent B3+ atoms.
DOI: 10.17188/1190569
title: Materials Data on MgB4O7 by Materials Project

description: MgB4O7 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.32 Å. There are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.56 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.39 Å) B–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.
DOI: 10.17188/1190570
title: Materials Data on SrGa2(SiO4)2 by Materials Project

description: SrGa2(SiO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form distorted SrO7 hexagonal pyramids that share corners with five GaO4 tetrahedra, corners with five SiO4 tetrahedra, an edgeedge with one GaO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.60–2.74 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with three equivalent SrO7 hexagonal pyramids and corners with four SiO4 tetrahedra. There is one shorter (1.82 Å) and three longer (1.86 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent SrO7 hexagonal pyramids, corners with four SiO4 tetrahedra, and an edgeedge with one SrO7 hexagonal pyramid. There are a spread of Ga–O bond distances ranging from 1.84–1.87 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SrO7 hexagonal pyramids, corners with four GaO4 tetrahedra, and an edgeedge with one SrO7 hexagonal pyramid. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SrO7 hexagonal pyramids and corners with four GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Ga3+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ga3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Ga3+, and one Si4+ atom.
DOI: 10.17188/1190571
title: Materials Data on YbBO3 by Materials Project

description: YbBO3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.48 Å. In the second Yb3+ site, Yb3+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Yb–O bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one B3+ atom.
DOI: 10.17188/1190572
title: Materials Data on GePd by Materials Project

description: PdGe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pd is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.68 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Pd atoms.