cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205418
title: Materials Data on Lu2Pd2Pb by Materials Project

description: Lu2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.88 Å) and four longer (2.93 Å) Lu–Pd bond lengths. All Lu–Pb bond lengths are 3.42 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Lu and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.10 Å. Pb is bonded to eight equivalent Lu and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbLu8Pd4 cuboctahedra.
DOI: 10.17188/1205419
title: Materials Data on Dy2CoSi2 by Materials Project

description: Dy2CoSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six Si4- atoms to form distorted DySi6 pentagonal pyramids that share corners with four equivalent DySi6 pentagonal pyramids, corners with four equivalent CoSi4 tetrahedra, edges with six equivalent DySi6 pentagonal pyramids, edges with two equivalent CoSi4 tetrahedra, and a faceface with one DySi6 pentagonal pyramid. There are a spread of Dy–Si bond distances ranging from 2.86–3.13 Å. In the second Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to seven Si4- atoms. There are a spread of Dy–Si bond distances ranging from 2.87–3.26 Å. Co2+ is bonded to four Si4- atoms to form CoSi4 tetrahedra that share corners with four equivalent DySi6 pentagonal pyramids, corners with two equivalent CoSi4 tetrahedra, edges with two equivalent DySi6 pentagonal pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.34–2.50 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Dy3+, one Co2+, and one Si4- atom. The Si–Si bond length is 2.58 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Dy3+, three equivalent Co2+, and one Si4- atom. The Si–Si bond length is 2.78 Å.
DOI: 10.17188/1205420
title: Materials Data on Tb2FeSi2 by Materials Project

description: Tb2FeSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six Si4- atoms to form distorted TbSi6 pentagonal pyramids that share corners with four equivalent TbSi6 pentagonal pyramids, corners with four equivalent FeSi4 tetrahedra, edges with six equivalent TbSi6 pentagonal pyramids, edges with two equivalent FeSi4 tetrahedra, and a faceface with one TbSi6 pentagonal pyramid. There are a spread of Tb–Si bond distances ranging from 2.85–3.23 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Tb–Si bond distances ranging from 2.90–3.25 Å. Fe2+ is bonded to four Si4- atoms to form FeSi4 tetrahedra that share corners with four equivalent TbSi6 pentagonal pyramids, corners with two equivalent FeSi4 tetrahedra, edges with two equivalent TbSi6 pentagonal pyramids, and edges with two equivalent FeSi4 tetrahedra. There are a spread of Fe–Si bond distances ranging from 2.33–2.46 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Tb3+, one Fe2+, and one Si4- atom. The Si–Si bond length is 2.53 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Tb3+ and three equivalent Fe2+ atoms.
DOI: 10.17188/1205421
title: Materials Data on Er2FeSi2 by Materials Project

description: Er2FeSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Si4- atoms to form distorted ErSi6 pentagonal pyramids that share corners with four equivalent ErSi6 pentagonal pyramids, corners with four equivalent FeSi4 tetrahedra, edges with six equivalent ErSi6 pentagonal pyramids, edges with two equivalent FeSi4 tetrahedra, and a faceface with one ErSi6 pentagonal pyramid. There are a spread of Er–Si bond distances ranging from 2.83–3.14 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.86–3.23 Å. Fe2+ is bonded to four Si4- atoms to form FeSi4 tetrahedra that share corners with four equivalent ErSi6 pentagonal pyramids, corners with two equivalent FeSi4 tetrahedra, edges with two equivalent ErSi6 pentagonal pyramids, and edges with two equivalent FeSi4 tetrahedra. There are a spread of Fe–Si bond distances ranging from 2.32–2.46 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Er3+, one Fe2+, and one Si4- atom. The Si–Si bond length is 2.51 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Er3+, three equivalent Fe2+, and one Si4- atom. The Si–Si bond length is 2.79 Å.
DOI: 10.17188/1205422
title: Materials Data on Li3AlH6 by Materials Project

description: Li3AlH6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six H1- atoms to form distorted LiH6 pentagonal pyramids that share corners with two AlH6 octahedra, corners with four equivalent LiH6 pentagonal pyramids, edges with two AlH6 octahedra, and edges with four equivalent LiH6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 34–41°. There are a spread of Li–H bond distances ranging from 1.90–2.08 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share corners with six equivalent LiH6 pentagonal pyramids and edges with six equivalent LiH6 pentagonal pyramids. All Al–H bond lengths are 1.75 Å. In the second Al3+ site, Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share corners with six equivalent LiH6 pentagonal pyramids and edges with six equivalent LiH6 pentagonal pyramids. All Al–H bond lengths are 1.75 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted see-saw-like geometry to three equivalent Li1+ and one Al3+ atom. In the second H1- site, H1- is bonded to three equivalent Li1+ and one Al3+ atom to form a mixture of edge and corner-sharing HLi3Al trigonal pyramids.
DOI: 10.17188/1205423
title: Materials Data on KAlH4 by Materials Project

description: KAlH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six H1- atoms. There are a spread of K–H bond distances ranging from 2.66–2.89 Å. Al3+ is bonded in a tetrahedral geometry to four H1- atoms. There is two shorter (1.63 Å) and two longer (1.64 Å) Al–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Al3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one K1+ and one Al3+ atom. In the third H1- site, H1- is bonded in a distorted linear geometry to one K1+ and one Al3+ atom.
DOI: 10.17188/1205424
title: Materials Data on YB2Ir3 by Materials Project

description: YIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to two equivalent Y, twelve equivalent Ir, and six equivalent B atoms. Both Y–Y bond lengths are 3.15 Å. All Y–Ir bond lengths are 3.16 Å. All Y–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Ir atoms.
DOI: 10.17188/1205425
title: Materials Data on CeIr3 by Materials Project

description: CeIr3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.45 Å) Ce–Ir bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Ce–Ir bond distances ranging from 3.06–3.35 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ce and six equivalent Ir atoms to form IrCe6Ir6 cuboctahedra that share corners with twelve equivalent IrCe5Ir7 cuboctahedra, edges with six equivalent IrCe6Ir6 cuboctahedra, and faces with eighteen equivalent IrCe5Ir7 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ce and nine Ir atoms. There are a spread of Ir–Ir bond distances ranging from 2.67–3.08 Å. In the third Ir site, Ir is bonded to five Ce and seven Ir atoms to form distorted IrCe5Ir7 cuboctahedra that share corners with seventeen IrCe6Ir6 cuboctahedra, edges with eight equivalent IrCe5Ir7 cuboctahedra, and faces with fourteen IrCe6Ir6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) Ir–Ir bond lengths.
DOI: 10.17188/1205426
title: Materials Data on Gd3ReO7 by Materials Project

description: Gd3ReO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.67 Å) Gd–O bond lengths. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent ReO6 octahedra, corners with three equivalent GdO7 pentagonal bipyramids, edges with two equivalent ReO6 octahedra, and edges with two equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are a spread of Gd–O bond distances ranging from 2.26–2.78 Å. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra, corners with four equivalent GdO7 pentagonal bipyramids, and edges with four equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 22°. There is two shorter (1.91 Å) and four longer (2.00 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Re5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Gd3+ and two equivalent Re5+ atoms.
DOI: 10.17188/1205427
title: Materials Data on Tb3ReO7 by Materials Project

description: Tb3ReO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.64 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent ReO6 octahedra, corners with three equivalent TbO7 pentagonal bipyramids, edges with two equivalent ReO6 octahedra, and edges with two equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are a spread of Tb–O bond distances ranging from 2.24–2.75 Å. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra, corners with four equivalent TbO7 pentagonal bipyramids, and edges with four equivalent TbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 22°. There is two shorter (1.90 Å) and four longer (2.00 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb3+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Tb3+ and one Re5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Tb3+ and two equivalent Re5+ atoms.
DOI: 10.17188/1205428
title: Materials Data on Ni3Te2 by Materials Project

description: Ni3Te2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded to five Te2- atoms to form NiTe5 square pyramids that share corners with twelve NiTe4 tetrahedra, edges with four equivalent NiTe5 square pyramids, and edges with four NiTe4 tetrahedra. There are a spread of Ni–Te bond distances ranging from 2.58–2.69 Å. In the second Ni+1.33+ site, Ni+1.33+ is bonded to four Te2- atoms to form distorted NiTe4 tetrahedra that share corners with five equivalent NiTe5 square pyramids, corners with four NiTe4 tetrahedra, edges with three equivalent NiTe5 square pyramids, and edges with four NiTe4 tetrahedra. There are a spread of Ni–Te bond distances ranging from 2.55–2.62 Å. In the third Ni+1.33+ site, Ni+1.33+ is bonded to four Te2- atoms to form distorted NiTe4 tetrahedra that share corners with seven equivalent NiTe5 square pyramids, corners with four NiTe4 tetrahedra, an edgeedge with one NiTe5 square pyramid, and edges with four NiTe4 tetrahedra. There are a spread of Ni–Te bond distances ranging from 2.51–2.58 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Ni+1.33+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ni+1.33+ atoms.
DOI: 10.17188/1205429
title: Materials Data on KBi by Materials Project

description: KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.64–3.91 Å. In the second K site, K is bonded in a 6-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.67–4.13 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of K–Bi bond distances ranging from 3.68–4.07 Å. In the fourth K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.65–3.92 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two equivalent Bi atoms. There are one shorter (3.06 Å) and one longer (3.11 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six K and two equivalent Bi atoms. In the third Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.07 Å. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six K and two equivalent Bi atoms.
DOI: 10.17188/1205430
title: Materials Data on RbBi by Materials Project

description: BiRb is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.76–4.13 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.80–4.29 Å. In the third Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.79–4.35 Å. In the fourth Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.78–4.13 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two equivalent Bi atoms. There are one shorter (3.07 Å) and one longer (3.10 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Rb and two equivalent Bi atoms. In the third Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two equivalent Bi atoms. There are one shorter (3.06 Å) and one longer (3.08 Å) Bi–Bi bond lengths. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to six Rb and two equivalent Bi atoms.
DOI: 10.17188/1205431
title: Materials Data on As2Pb8O13 by Materials Project

description: Pb8O5(AsO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six 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 2.21–2.63 Å. In the second 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 2.24–3.02 Å. In the third 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 2.25–3.03 Å. In the fourth 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 2.30–2.68 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.97 Å. In the sixth Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.70 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.72 Å) and three longer (1.73 Å) As–O bond length. In the second As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one As5+ atom. In the fourth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four Pb2+ atoms. In the eighth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra.
DOI: 10.17188/1205432
title: Materials Data on Pr12InPt7 by Materials Project

description: Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1205433
title: Materials Data on Ho12InPt7 by Materials Project

description: Ho12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Ho–Pt bond distances ranging from 2.90–3.23 Å. The Ho–In bond length is 3.30 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.78–3.58 Å. In the third Ho site, Ho is bonded to four Pt atoms to form distorted edge-sharing HoPt4 trigonal pyramids. There are two shorter (2.85 Å) and two longer (2.93 Å) Ho–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Ho atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Ho atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1205434
title: Materials Data on Sm3GaO6 by Materials Project

description: Sm3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent SmO7 pentagonal bipyramids, a cornercorner with one GaO4 tetrahedra, edges with eight SmO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Sm–O bond distances ranging from 2.34–2.52 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with five SmO7 pentagonal bipyramids, corners with three equivalent GaO4 tetrahedra, edges with five SmO7 pentagonal bipyramids, an edgeedge with one GaO4 tetrahedra, and a faceface with one SmO7 pentagonal bipyramid. There are a spread of Sm–O bond distances ranging from 2.28–2.67 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with seven SmO7 pentagonal bipyramids and edges with three SmO7 pentagonal bipyramids. There is one shorter (1.86 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sm3+ and one Ga3+ atom to form distorted OSm3Ga tetrahedra that share corners with eight equivalent OSm4 tetrahedra, corners with four equivalent OSm3Ga trigonal pyramids, and edges with two equivalent OSm3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sm3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Sm3+ atoms to form OSm4 tetrahedra that share corners with six OSm3Ga tetrahedra, corners with six equivalent OSm3Ga trigonal pyramids, edges with three equivalent OSm4 tetrahedra, and an edgeedge with one OSm3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Sm3+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSm3Ga trigonal pyramids.