cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1692578
title: Materials Data on SmTiFe5Co6 by Materials Project

description: SmTiFe5Co6 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to one Ti, ten Fe, and nine Co atoms. The Sm–Ti bond length is 3.19 Å. There are a spread of Sm–Fe bond distances ranging from 3.05–3.23 Å. There are a spread of Sm–Co bond distances ranging from 2.94–3.06 Å. Ti is bonded in a 1-coordinate geometry to one Sm, four equivalent Fe, and nine Co atoms. All Ti–Fe bond lengths are 2.66 Å. There are a spread of Ti–Co bond distances ranging from 2.31–2.85 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, one Ti, three Fe, and six Co atoms to form distorted FeSm2TiFe3Co6 cuboctahedra that share corners with twelve FeSm2TiFe3Co6 cuboctahedra, edges with five FeSm2Fe4Co6 cuboctahedra, and faces with eight FeSm2TiFe3Co6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.35–2.45 Å. There are a spread of Fe–Co bond distances ranging from 2.42–2.60 Å. In the second Fe site, Fe is bonded to two equivalent Sm, four equivalent Fe, and six Co atoms to form distorted FeSm2Fe4Co6 cuboctahedra that share corners with eight equivalent FeSm2TiFe3Co6 cuboctahedra, edges with six FeSm2Fe4Co6 cuboctahedra, and faces with eight equivalent FeSm2TiFe3Co6 cuboctahedra. There are four shorter (2.56 Å) and two longer (2.73 Å) Fe–Co bond lengths. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Sm, one Ti, five Fe, and four Co atoms. There are a spread of Co–Co bond distances ranging from 2.61–2.72 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Ti, four equivalent Fe, and four Co atoms. Both Co–Co bond lengths are 2.61 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to one Sm, two equivalent Ti, five Fe, and six Co atoms. There are one shorter (2.41 Å) and two longer (2.93 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 1-coordinate geometry to one Sm, one Ti, six Fe, and six Co atoms.
DOI: 10.17188/1692579
title: Materials Data on YNiB4 by Materials Project

description: YNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 4-coordinate geometry to sixteen B+1.50- atoms. There are a spread of Y–B bond distances ranging from 2.78–2.88 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.80 Å) and eight longer (2.85 Å) Y–B bond lengths. Ni3+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.08 Å) and four longer (2.19 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Y3+, one Ni3+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.69–1.75 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Y3+, two equivalent Ni3+, and three B+1.50- atoms. The B–B bond length is 1.70 Å.
DOI: 10.17188/1692580
title: Materials Data on SrCa7Mn6Al2O21 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692581
title: Materials Data on CeMoO4F by Materials Project

description: CeMoO4F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Ce–O bond distances ranging from 2.41–2.58 Å. There are one shorter (2.37 Å) and one longer (2.39 Å) Ce–F bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. F1- is bonded in a distorted linear geometry to two equivalent Ce3+ atoms.
DOI: 10.17188/1692582
title: Materials Data on Rb5NO5 by Materials Project

description: RbRb4NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one rubidium molecule and one Rb4NO5 sheet oriented in the (0, 1, 0) direction. In the Rb4NO5 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.03 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.72–3.61 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.42 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one N5+, and one O2- atom. The O–O bond length is 1.38 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to five Rb1+ atoms.
DOI: 10.17188/1692583
title: Materials Data on Li5MnO3F2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692584
title: Materials Data on LaCeB12 by Materials Project

description: CeLaB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a 1-coordinate geometry to twenty-four B+0.50- atoms. There are sixteen shorter (3.04 Å) and eight longer (3.05 Å) Ce–B bond lengths. La3+ is bonded in a 8-coordinate geometry to twenty-four B+0.50- atoms. All La–B bond lengths are 3.05 Å. There are three inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Ce3+, two equivalent La3+, and five B+0.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.77 Å. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent La3+ and five B+0.50- atoms. The B–B bond length is 1.66 Å. In the third B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four equivalent Ce3+ and five B+0.50- atoms. The B–B bond length is 1.64 Å.
DOI: 10.17188/1692586
title: Materials Data on V3NiP2 by Materials Project

description: V3NiP2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are nine inequivalent V sites. In the first V site, V is bonded to four P atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.33–2.37 Å. In the second V site, V is bonded to four P atoms to form a mixture of distorted edge and corner-sharing VP4 tetrahedra. There are a spread of V–P bond distances ranging from 2.33–2.39 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.35–2.42 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to two equivalent Ni and five P atoms. Both V–Ni bond lengths are 2.69 Å. There are a spread of V–P bond distances ranging from 2.52–2.55 Å. In the fifth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.49 Å) and one longer (2.51 Å) V–P bond lengths. In the sixth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.46–2.50 Å. In the seventh V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.50–2.60 Å. In the eighth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are one shorter (2.38 Å) and four longer (2.50 Å) V–P bond lengths. In the ninth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.47–2.53 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent V and four P atoms. There are a spread of Ni–P bond distances ranging from 2.22–2.31 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.24–2.27 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.29 Å. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to seven V and two Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to eight V and one Ni atom. In the third P site, P is bonded in a 9-coordinate geometry to seven V and two Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to eight V and one Ni atom. In the fifth P site, P is bonded in a 9-coordinate geometry to seven V and two equivalent Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to five V and four Ni atoms.
DOI: 10.17188/1692588
title: Materials Data on H3F2 by Materials Project

description: H2(HF)4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one hydrogen molecule and two HF ribbons oriented in the (0, 1, 0) direction. In each HF ribbon, there are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two F atoms. There is one shorter (0.99 Å) and one longer (1.44 Å) H–F bond length. In the second H site, H is bonded in a linear geometry to two F atoms. There is one shorter (0.99 Å) and one longer (1.45 Å) H–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two H atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two H atoms.
DOI: 10.17188/1692590
title: Materials Data on Ti3NiSb2(PO4)6 by Materials Project

description: Ti3NiSb2(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.97 Å) and three longer (2.08 Å) Ti–O bond lengths. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.92 Å) and three longer (2.10 Å) Ti–O bond lengths. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.94 Å) and three longer (2.13 Å) Ti–O bond lengths. Ni2+ is bonded to six O2- atoms to form distorted NiO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (1.96 Å) and three longer (2.18 Å) Ni–O bond lengths. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.19 Å) and three longer (2.53 Å) Sb–O bond lengths. In the second Sb2+ site, Sb2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.30 Å) and three longer (2.45 Å) Sb–O bond lengths. 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 NiO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 29–44°. There are a spread of P–O bond distances ranging from 1.50–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one NiO6 octahedra and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–48°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+, one Sb2+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Sb2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Ni2+, one Sb2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+, one Sb2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom.
DOI: 10.17188/1692591
title: Materials Data on La3Ge5 by Materials Project

description: La3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.13–3.54 Å. In the second La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.19–3.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six La and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six La and three Ge atoms. There are one shorter (2.57 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two equivalent Ge atoms.
DOI: 10.17188/1692592
title: Materials Data on Sc11Ru4 by Materials Project

description: Sc11Ru4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four Sc6Ru clusters and one Sc16Ru7 framework. In each Sc6Ru cluster, Sc is bonded in a single-bond geometry to one Ru atom. The Sc–Ru bond length is 2.65 Å. Ru is bonded in an octahedral geometry to six equivalent Sc atoms. In the Sc16Ru7 framework, there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four Ru atoms to form a mixture of distorted corner and edge-sharing ScRu4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.97 Å) Sc–Ru bond lengths. In the second Sc site, Sc is bonded in a trigonal planar geometry to three equivalent Ru atoms. All Sc–Ru bond lengths are 2.74 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the second Ru site, Ru is bonded in a 12-coordinate geometry to eight Sc atoms.
DOI: 10.17188/1692593
title: Materials Data on SmGdSe2 by Materials Project

description: GdSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Se atoms to form GdSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.94 Å. Sm is bonded to six equivalent Se atoms to form SmSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Se bond lengths are 2.95 Å. Se is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SeSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1692594
title: Materials Data on KCd(BO2)3 by Materials Project

description: KCd(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.40 Å. Cd2+ is bonded to five O2- atoms to form edge-sharing CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.19–2.43 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.41 Å) B–O bond length. 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 1.34–1.41 Å. 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 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cd2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+, one Cd2+, and one B3+ atom.
DOI: 10.17188/1692595
title: Materials Data on K2RbYCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692596
title: Materials Data on Cs6WN4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692597
title: Materials Data on K2CoH2(SO5)2 by Materials Project

description: K2CoH2(SO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.02 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.78–2.17 Å. H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of S–O bond distances ranging from 1.47–1.55 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Co4+, and one H1+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Co4+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co4+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one S6+ atom.
DOI: 10.17188/1692598
title: Materials Data on Co3C10ClO9 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692599
title: Materials Data on Zn5(SiN3)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1692600
title: Materials Data on Sm2Cu(GeO4)2 by Materials Project

description: Sm2Cu(GeO4)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.86 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.79 Å. Cu2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.69 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to five O2- atoms to form corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.78–1.97 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.80 Å) Ge–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the second O2- site, O2- is bonded to two Sm3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSm2CuGe trigonal pyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Sm3+, two equivalent Cu2+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Sm3+, one Cu2+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded to two Sm3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSm2CuGe trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sm3+ and two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded to two Sm3+, one Cu2+, and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSm2CuGe trigonal pyramids.