cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1680207
title: Materials Data on CeAsN(O2F)2 by Materials Project

description: (CeAs(O2F)2)2N2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two ammonia molecules and one CeAs(O2F)2 framework. In the CeAs(O2F)2 framework, Ce4+ is bonded in a 8-coordinate geometry to four O2- and four equivalent F1- atoms. There are a spread of Ce–O bond distances ranging from 2.24–2.55 Å. There are two shorter (2.31 Å) and two longer (2.32 Å) Ce–F bond lengths. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one As5+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1680208
title: Materials Data on Ca2AlBiO5 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: 10.17188/1680209
title: Materials Data on Li4Ni5(P3O11)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: 10.17188/1680210
title: Materials Data on Mo(Se2N)2 by Materials Project

description: MoSe4N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four MoSe4 clusters. In each MoSe4 cluster, Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. All Mo–Se bond lengths are 2.31 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the second Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom. In the third Se2- site, Se2- is bonded in a single-bond geometry to one Mo6+ atom.
DOI: 10.17188/1680211
title: Materials Data on TiFeO4 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: 10.17188/1680212
title: Materials Data on Fe2Te3O10 by Materials Project

description: Fe2Te3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.20 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.79–2.17 Å. There are three inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.95 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.65 Å. In the third Te+4.67+ site, Te+4.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one Te+4.67+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Fe3+ atom.
DOI: 10.17188/1680213
title: Materials Data on VIn3 by Materials Project

description: VIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent In atoms to form VIn12 cuboctahedra that share corners with six equivalent VIn12 cuboctahedra, corners with twelve equivalent InV4In8 cuboctahedra, edges with eighteen equivalent InV4In8 cuboctahedra, faces with eight equivalent VIn12 cuboctahedra, and faces with twelve equivalent InV4In8 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.17 Å) V–In bond lengths. In is bonded to four equivalent V and eight equivalent In atoms to form InV4In8 cuboctahedra that share corners with four equivalent VIn12 cuboctahedra, corners with fourteen equivalent InV4In8 cuboctahedra, edges with six equivalent VIn12 cuboctahedra, edges with twelve equivalent InV4In8 cuboctahedra, faces with four equivalent VIn12 cuboctahedra, and faces with sixteen equivalent InV4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.03–3.21 Å.
DOI: 10.17188/1680215
title: Materials Data on NaPdN 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: 10.17188/1680216
title: Materials Data on Zr2FeCo by Materials Project

description: Fe(Co)Zr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Fe(Co)Zr2 ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Fe and one Co atom. The Zr–Fe bond length is 2.09 Å. The Zr–Co bond length is 2.16 Å. Fe is bonded in a linear geometry to two equivalent Zr atoms. Co is bonded in a linear geometry to two equivalent Zr atoms.
DOI: 10.17188/1680217
title: Materials Data on BiBr7(N3F2)2 by Materials Project

description: BiBr6(N3F)2BrF2 is Halite, Rock Salt structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four BiBr6(N3F)2 clusters and four BrF2 clusters. In each BiBr6(N3F)2 cluster, Bi5+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Bi–Br bond lengths are 3.03 Å. N1+ is bonded in a water-like geometry to one Br1- and one F1- atom. The N–Br bond length is 1.78 Å. The N–F bond length is 2.01 Å. Br1- is bonded in a distorted water-like geometry to one Bi5+ and one N1+ atom. F1- is bonded in a trigonal non-coplanar geometry to three equivalent N1+ atoms. In each BrF2 cluster, Br1- is bonded in a linear geometry to two equivalent F1- atoms. Both Br–F bond lengths are 1.98 Å. F1- is bonded in a single-bond geometry to one Br1- atom.
DOI: 10.17188/1680218
title: Materials Data on CsGd(MoO4)2 by Materials Project

description: CsGd(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.44 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.33–2.56 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Gd3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Gd3+, and one Mo6+ atom.
DOI: 10.17188/1680219
title: Materials Data on SbPH2F10 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: 10.17188/1680220
title: Materials Data on AcMg3 by Materials Project

description: Mg3Ac crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Ac atoms. There are four shorter (3.28 Å) and two longer (3.31 Å) Mg–Mg bond lengths. There are two shorter (3.48 Å) and two longer (3.59 Å) Mg–Ac bond lengths. Ac is bonded to twelve equivalent Mg atoms to form a mixture of corner and face-sharing AcMg12 cuboctahedra.
DOI: 10.17188/1680222
title: Materials Data on Nb6Hg(Br8O9)2 by Materials Project

description: Hg(NbO)6(O2)6(Br)16 crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of sixteen hexaoxane molecules, one hundred and twenty-eight hydrobromic acid molecules, eight mercury molecules, and forty-eight niobium(ii) oxide molecules.
DOI: 10.17188/1680223
title: Materials Data on EuMoO2 by Materials Project

description: EuMoO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent O2- atoms to form edge-sharing EuO6 octahedra. There are four shorter (2.50 Å) and two longer (2.53 Å) Eu–O bond lengths. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.23 Å. O2- is bonded to three equivalent Eu2+ and two equivalent Mo2+ atoms to form a mixture of distorted corner and edge-sharing OEu3Mo2 square pyramids.
DOI: 10.17188/1680224
title: Materials Data on LiMnF4 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: 10.17188/1680225
title: Materials Data on K2NaMoI6 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: 10.17188/1680226
title: Materials Data on Nb2FeCo3 by Materials Project

description: Co3FeNb2 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, three equivalent Fe, and nine equivalent Co atoms. There are one shorter (2.86 Å) and three longer (2.94 Å) Nb–Nb bond lengths. All Nb–Fe bond lengths are 2.82 Å. There are three shorter (2.77 Å) and six longer (2.79 Å) Nb–Co bond lengths. Fe is bonded to six equivalent Nb and six equivalent Co atoms to form FeNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Fe2Co4 cuboctahedra, edges with six equivalent FeNb6Co6 cuboctahedra, faces with two equivalent FeNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Fe2Co4 cuboctahedra. All Fe–Co bond lengths are 2.38 Å. Co is bonded to six equivalent Nb, two equivalent Fe, and four equivalent Co atoms to form CoNb6Fe2Co4 cuboctahedra that share corners with four equivalent FeNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Fe2Co4 cuboctahedra, edges with six equivalent CoNb6Fe2Co4 cuboctahedra, faces with six equivalent FeNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Fe2Co4 cuboctahedra. There are two shorter (2.36 Å) and two longer (2.44 Å) Co–Co bond lengths.
DOI: 10.17188/1680227
title: Materials Data on Li4Mn5Fe3O16 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: 10.17188/1680228
title: Materials Data on InRhO3 by Materials Project

description: RhInO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rh3+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Rh–O bond distances ranging from 2.01–2.59 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of In–O bond distances ranging from 2.15–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rh3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Rh3+ and two equivalent In3+ atoms.
DOI: 10.17188/1680229
title: Materials Data on In3GaN4 by Materials Project

description: In3GaN4 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four N3- atoms to form corner-sharing InN4 tetrahedra. There are three shorter (2.15 Å) and one longer (2.17 Å) In–N bond lengths. In the second In3+ site, In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with three equivalent GaN4 tetrahedra and corners with nine InN4 tetrahedra. There are three shorter (2.15 Å) and one longer (2.18 Å) In–N bond lengths. In the third In3+ site, In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with three equivalent GaN4 tetrahedra and corners with nine InN4 tetrahedra. There are three shorter (2.16 Å) and one longer (2.20 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with six InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There are one shorter (1.95 Å) and three longer (2.09 Å) Ga–N bond lengths. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to four In3+ atoms to form corner-sharing NIn4 tetrahedra. In the third N3- site, N3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing NInGa3 tetrahedra. In the fourth N3- site, N3- is bonded to four In3+ atoms to form corner-sharing NIn4 tetrahedra.
DOI: 10.17188/1680230
title: Materials Data on CF by Materials Project

description: CF is beta Sn-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two 3,3,4,4,7,7,8,8,11,11,12,12-dodecafluorotetracyclo-(8.2.0.02,5.06,9)dodeca-1,5,9-triene molecules. there are four inequivalent C sites. In the first C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.40 Å) and one longer (1.52 Å) C–C bond length. In the second C site, C is bonded in a water-like geometry to one C and two equivalent F atoms. The C–C bond length is 1.51 Å. Both C–F bond lengths are 1.36 Å. In the third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. In the fourth C site, C is bonded in a water-like geometry to one C and two equivalent F atoms. Both C–F bond lengths are 1.36 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one C atom.
DOI: 10.17188/1680231
title: Materials Data on VPb2Se2ClO8 by Materials Project

description: VPb2Se2O8Cl crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of V–O bond distances ranging from 1.66–2.16 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 6-coordinate geometry to five O2- and one Cl1- atom. There are a spread of Pb–O bond distances ranging from 2.57–2.85 Å. The Pb–Cl bond length is 3.07 Å. In the second Pb4+ site, Pb4+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.84 Å. There are one shorter (2.94 Å) and one longer (3.09 Å) Pb–Cl bond lengths. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.79 Å. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.76 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Pb4+, and one Se2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Pb4+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb4+ and one Se2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Pb4+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Pb4+, and one Se2+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. Cl1- is bonded in a 3-coordinate geometry to three Pb4+ atoms.
DOI: 10.17188/1680232
title: Materials Data on LiMn3P3O11 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: 10.17188/1680233
title: Materials Data on LiMoPO5 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: 10.17188/1680234
title: Materials Data on SrTaO3 by Materials Project

description: SrTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Sr–O bond lengths are 2.88 Å. Ta4+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ta4+ atoms.
DOI: 10.17188/1680235
title: Materials Data on NdNpO3 by Materials Project

description: NpNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form distorted NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Np–O bond lengths are 3.18 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.25 Å. O2- is bonded in a linear geometry to four equivalent Np3+ and two equivalent Nd3+ atoms.
DOI: 10.17188/1680236
title: Materials Data on Sr2La2FeCu3O10 by Materials Project

description: Sr2La2FeCu3O10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–3.06 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.85 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.99–2.01 Å. There are two inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.86 Å) and two longer (2.00 Å) Cu–O bond length. In the second Cu+2.33+ site, Cu+2.33+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with two equivalent FeO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedra tilt angles range from 14–25°. There are a spread of Cu–O bond distances ranging from 1.87–2.24 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, one Fe3+, and one Cu+2.33+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Cu+2.33+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Fe3+ atoms to form distorted OSr2La2Fe2 octahedra that share corners with fourteen OSr2La2Fe2 octahedra and edges with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the fifth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with ten OSr2La2Cu2 octahedra, edges with four OSr2La2Fe2 octahedra, and faces with two equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu+2.33+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with six OSr2La2Fe2 octahedra, edges with four equivalent OSr2La2Cu2 octahedra, and faces with four equivalent OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.