cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1298627
title: Materials Data on Na4Bi2As(CO4)4 by Materials Project

description: Na4Bi2As(CO4)4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with four equivalent NaO6 octahedra, edges with two equivalent BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–83°. There are two shorter (2.39 Å) and four longer (2.59 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with four equivalent NaO6 octahedra, edges with two equivalent BiO6 octahedra, and an edgeedge with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–83°. There are a spread of Na–O bond distances ranging from 2.39–2.74 Å. C+3.75+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. Bi4+ is bonded to six O2- atoms to form BiO6 octahedra that share edges with four NaO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.37–2.39 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share edges with four NaO6 octahedra. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Na1+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one C+3.75+, and one Bi4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one C+3.75+, and one Bi4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one C+3.75+, and one Bi4+ atom.
DOI: 10.17188/1298628
title: Materials Data on Li3NbS4 by Materials Project

description: Li3NbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 trigonal pyramids that share corners with two equivalent NbS4 tetrahedra, corners with two equivalent LiS5 trigonal bipyramids, corners with six equivalent LiS4 trigonal pyramids, an edgeedge with one NbS4 tetrahedra, an edgeedge with one LiS5 trigonal bipyramid, and an edgeedge with one LiS4 trigonal pyramid. There are a spread of Li–S bond distances ranging from 2.56–2.65 Å. In the second Li1+ site, Li1+ is bonded to five S2- atoms to form LiS5 trigonal bipyramids that share corners with three equivalent NbS4 tetrahedra, corners with two equivalent LiS5 trigonal bipyramids, corners with four equivalent LiS4 trigonal pyramids, an edgeedge with one NbS4 tetrahedra, and edges with two equivalent LiS4 trigonal pyramids. There are a spread of Li–S bond distances ranging from 2.58–2.91 Å. Nb5+ is bonded to four S2- atoms to form NbS4 tetrahedra that share corners with three equivalent LiS5 trigonal bipyramids, corners with four equivalent LiS4 trigonal pyramids, an edgeedge with one LiS5 trigonal bipyramid, and edges with two equivalent LiS4 trigonal pyramids. There are one shorter (2.25 Å) and three longer (2.31 Å) Nb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Nb5+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Nb5+ atom. In the third S2- site, S2- is bonded to five Li1+ and one Nb5+ atom to form edge-sharing SLi5Nb octahedra.
DOI: 10.17188/1298629
title: Materials Data on BaLaCl5 by Materials Project

description: BaLaCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Ba–Cl bond distances ranging from 3.31–3.77 Å. La3+ is bonded to seven Cl1- atoms to form distorted corner-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.81–2.92 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Ba2+ and two equivalent La3+ atoms.
DOI: 10.17188/1298630
title: Materials Data on Li2NbS3 by Materials Project

description: Li2NbS3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four NbS6 octahedra, edges with four NbS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedra tilt angles range from 3–9°. There are a spread of Li–S bond distances ranging from 2.57–2.67 Å. In the second Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with two equivalent LiS6 octahedra, corners with four NbS6 octahedra, edges with four NbS6 octahedra, and edges with eight LiS6 octahedra. The corner-sharing octahedra tilt angles range from 6–11°. There are a spread of Li–S bond distances ranging from 2.54–2.68 Å. In the third Li1+ site, Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six LiS6 octahedra, edges with six LiS6 octahedra, and edges with six NbS6 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. There are a spread of Li–S bond distances ranging from 2.59–2.61 Å. There are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six S2- atoms to form NbS6 octahedra that share corners with six LiS6 octahedra, edges with three equivalent NbS6 octahedra, and edges with nine LiS6 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. There are a spread of Nb–S bond distances ranging from 2.44–2.68 Å. In the second Nb4+ site, Nb4+ is bonded to six S2- atoms to form NbS6 octahedra that share corners with six LiS6 octahedra, edges with three equivalent NbS6 octahedra, and edges with nine LiS6 octahedra. The corner-sharing octahedra tilt angles range from 6–9°. There are a spread of Nb–S bond distances ranging from 2.43–2.68 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four Li1+ and two Nb4+ atoms to form a mixture of corner and edge-sharing SLi4Nb2 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. In the second S2- site, S2- is bonded to four Li1+ and two Nb4+ atoms to form a mixture of corner and edge-sharing SLi4Nb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third S2- site, S2- is bonded to four Li1+ and two Nb4+ atoms to form a mixture of corner and edge-sharing SLi4Nb2 octahedra. The corner-sharing octahedra tilt angles range from 0–17°.
DOI: 10.17188/1298631
title: Materials Data on Bi4(BO4)3 by Materials Project

description: Bi4(BO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with eight equivalent BiO6 pentagonal pyramids. All B–O bond lengths are 1.48 Å. Bi+3.75+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with six equivalent BO4 tetrahedra and edges with three equivalent BiO6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.42 Å) Bi–O bond lengths. O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms.
DOI: 10.17188/1298633
title: Materials Data on Bi12BO20 by Materials Project

description: BBi12O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. B3+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All B–O bond lengths are 1.51 Å. Bi+3.08+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi+3.08+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi+3.08+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three equivalent Bi+3.08+ atoms.
DOI: 10.17188/1298634
title: Materials Data on Bi4(BO4)3 by Materials Project

description: Bi4(BO4)3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.41–1.57 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.40 Å) B–O bond length. In the third 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 1.36–1.43 Å. There are four inequivalent Bi+3.75+ sites. In the first Bi+3.75+ site, Bi+3.75+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.86 Å. In the second Bi+3.75+ site, Bi+3.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.67 Å. In the third Bi+3.75+ site, Bi+3.75+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.91 Å. In the fourth Bi+3.75+ site, Bi+3.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.81 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the second O2- site, O2- is bonded to four Bi+3.75+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi+3.75+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two Bi+3.75+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and one Bi+3.75+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and one Bi+3.75+ atom.
DOI: 10.17188/1298636
title: Materials Data on BaY4Cl14 by Materials Project

description: BaY4Cl14 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ba2+ is bonded to four Cl1- atoms to form BaCl4 tetrahedra that share corners with four YCl6 octahedra. The corner-sharing octahedra tilt angles range from 29–45°. There are a spread of Ba–Cl bond distances ranging from 2.91–2.98 Å. There are four inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Cl1- atoms to form YCl6 octahedra that share corners with five YCl6 octahedra and a cornercorner with one BaCl4 tetrahedra. The corner-sharing octahedra tilt angles range from 2–28°. There are a spread of Y–Cl bond distances ranging from 2.62–2.68 Å. In the second Y3+ site, Y3+ is bonded to six Cl1- atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are a spread of Y–Cl bond distances ranging from 2.64–2.67 Å. In the third Y3+ site, Y3+ is bonded to six Cl1- atoms to form YCl6 octahedra that share corners with three YCl6 octahedra and corners with three equivalent BaCl4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–28°. There are a spread of Y–Cl bond distances ranging from 2.62–2.69 Å. In the fourth Y3+ site, Y3+ is bonded to six Cl1- atoms to form corner-sharing YCl6 octahedra. The corner-sharing octahedra tilt angles range from 2–14°. There are a spread of Y–Cl bond distances ranging from 2.64–2.69 Å. There are fourteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to one Ba2+ and one Y3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Y3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Y3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and one Y3+ atom. In the sixth Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to one Ba2+ and one Y3+ atom. In the twelfth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and one Y3+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms. In the fourteenth Cl1- site, Cl1- is bonded in a linear geometry to two Y3+ atoms.
DOI: 10.17188/1298639
title: Materials Data on Li2CuH14C4(N3O4)2 by Materials Project

description: Li2CuC4H14(N3O4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.22–2.84 Å. Cu2+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.90 Å) and two longer (1.98 Å) Cu–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.30 Å) and one longer (1.40 Å) C–N bond length. The C–O bond length is 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.32 Å) and one longer (1.40 Å) C–N bond length. The C–O bond length is 1.29 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one Cu2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to two C4+ and one H1+ atom. The N–H bond length is 1.01 Å. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cu2+, one C4+, and one H1+ atom. The N–H bond length is 1.02 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+, one C4+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two H1+ atoms.
DOI: 10.17188/1298640
title: Materials Data on Mg2Te3O8 by Materials Project

description: Mg2Te3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mg–O bond distances ranging from 2.05–2.30 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.89 Å) and two longer (2.13 Å) Te–O bond lengths. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and two Te4+ atoms.
DOI: 10.17188/1298641
title: Materials Data on Na2Li3Ti3Al(PO4)6 by Materials Project

description: Na2Li3Ti3Al(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.38 Å) and three longer (2.52 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.32 Å) and three longer (2.51 Å) Na–O bond lengths. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.12–2.59 Å. There are three inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.95 Å) and three longer (2.12 Å) Ti–O bond lengths. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.97 Å) and three longer (1.99 Å) Ti–O bond length. In the third Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.02 Å) Ti–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.85 Å) and three longer (2.01 Å) Al–O bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one AlO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–39°. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one AlO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 27–38°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, two equivalent Li1+, one Al3+, and one P5+ atom to form distorted face-sharing ONaLi2AlP trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Na1+, two equivalent Li1+, one Ti+3.33+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti+3.33+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti+3.33+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Al3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ti+3.33+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ti+3.33+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ti+3.33+, and one P5+ atom.
DOI: 10.17188/1298642
title: Materials Data on ScGaO3 by Materials Project

description: ScGaO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.16–2.42 Å. In the second Sc3+ site, Sc3+ is bonded to seven O2- atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent GaO5 trigonal bipyramids and edges with three equivalent GaO5 trigonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.14–2.30 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share a cornercorner with one ScO7 pentagonal bipyramid, corners with six equivalent GaO5 trigonal bipyramids, and an edgeedge with one ScO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.92–1.96 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sc3+ and one Ga3+ atom to form OSc3Ga tetrahedra that share corners with ten OSc3Ga tetrahedra, corners with two equivalent OScGa3 trigonal pyramids, edges with three equivalent OSc3Ga tetrahedra, and edges with two equivalent OScGa3 trigonal pyramids. In the second O2- site, O2- is bonded to three Sc3+ and one Ga3+ atom to form distorted OSc3Ga tetrahedra that share corners with ten OSc3Ga tetrahedra, corners with four equivalent OScGa3 trigonal pyramids, edges with three equivalent OSc3Ga tetrahedra, and an edgeedge with one OScGa3 trigonal pyramid. In the third O2- site, O2- is bonded to one Sc3+ and three equivalent Ga3+ atoms to form distorted OScGa3 trigonal pyramids that share corners with six equivalent OSc3Ga tetrahedra, corners with six OScGa3 trigonal pyramids, and edges with three equivalent OSc3Ga tetrahedra. In the fourth O2- site, O2- is bonded to one Sc3+ and three equivalent Ga3+ atoms to form distorted OScGa3 trigonal pyramids that share corners with six equivalent OSc3Ga tetrahedra, corners with six equivalent OScGa3 trigonal pyramids, and edges with three equivalent OSc3Ga tetrahedra.