cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1714688
title: Materials Data on Tm7Mg3Ge8 by Materials Project

description: Mg3Tm7Ge8 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five Ge atoms to form distorted corner-sharing MgGe5 square pyramids. There are a spread of Mg–Ge bond distances ranging from 2.73–3.08 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.70–3.09 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.78–3.04 Å. There are seven inequivalent Tm sites. In the first Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.94–3.23 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.93–3.25 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.94–3.24 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.95–3.25 Å. In the fifth Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.03 Å. In the sixth Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.02 Å. In the seventh Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.81–3.02 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to three Mg, four Tm, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three Mg, five Tm, and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six Tm, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Tm, and one Ge atom.
DOI: 10.17188/1714689
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and nine Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.90–3.23 Å. There are a spread of Mg–Si bond distances ranging from 2.70–3.11 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to two Mg and seven Si atoms. The Mg–Mg bond length is 2.88 Å. There are a spread of Mg–Si bond distances ranging from 2.76–3.08 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to two Mg and eleven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.22 Å. In the fourth Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Mg and nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.16 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.46–2.64 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.56–2.62 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.76 Å. In the fourth Si site, Si is bonded in a 2-coordinate geometry to three Mg and five Si atoms. There are one shorter (2.68 Å) and one longer (2.70 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are one shorter (2.59 Å) and one longer (2.72 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.61 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to four Mg and five Si atoms. The Si–Si bond length is 2.66 Å. In the eighth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms.
DOI: 10.17188/1714690
title: Materials Data on Rb2LiCeI6 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: 10.17188/1714691
title: Materials Data on CdGa2(SeS)2 by Materials Project

description: CdGa2S2Se2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cd2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CdSe2S2 tetrahedra that share corners with eight GaSe2S2 tetrahedra. Both Cd–Se bond lengths are 2.68 Å. Both Cd–S bond lengths are 2.58 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent CdSe2S2 tetrahedra and corners with four equivalent GaSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.44 Å. Both Ga–S bond lengths are 2.32 Å. In the second Ga3+ site, Ga3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form GaSe2S2 tetrahedra that share corners with four equivalent CdSe2S2 tetrahedra and corners with four equivalent GaSe2S2 tetrahedra. Both Ga–Se bond lengths are 2.45 Å. Both Ga–S bond lengths are 2.32 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms. S2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.
DOI: 10.17188/1714692
title: Materials Data on Mn2CoO4 by Materials Project

description: CoMn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO4 tetrahedra and edges with six equivalent MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.29 Å) Mn–O bond lengths. Co4+ is bonded to four equivalent O2- atoms to form CoO4 tetrahedra that share corners with twelve equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. All Co–O bond lengths are 2.01 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn2+ and one Co4+ atom.
DOI: 10.17188/1714693
title: Materials Data on Na2Fe2O5 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: 10.17188/1714695
title: Materials Data on PuB4Ru by Materials Project

description: PuRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.64–2.76 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.26–2.38 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.75 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Pu3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Ru3+, and three B+1.50- atoms.
DOI: 10.17188/1714697
title: Materials Data on KIrNCl5O2 by Materials Project

description: KIrNO2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two KIrNO2Cl5 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 1-coordinate geometry to one O2- and ten Cl1- atoms. The K–O bond length is 2.80 Å. There are a spread of K–Cl bond distances ranging from 3.45–3.73 Å. Ir3+ is bonded in an octahedral geometry to one N5+ and five Cl1- atoms. The Ir–N bond length is 1.78 Å. There are a spread of Ir–Cl bond distances ranging from 2.30–2.38 Å. N5+ is bonded in a linear geometry to one Ir3+ and one O2- atom. The N–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Ir3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one K1+ and one Ir3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ir3+ atom.
DOI: 10.17188/1714698
title: Materials Data on K3YI6 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: 10.17188/1714699
title: Materials Data on PrAsPd by Materials Project

description: PrPdAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing PrAs6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.22 Å. All Pr–As bond lengths are 3.22 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.
DOI: 10.17188/1714700
title: Materials Data on ZrH5S3O14 by Materials Project

description: ZrH3S3O13H2O crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two water molecules and one ZrH3S3O13 sheet oriented in the (0, 1, 0) direction. In the ZrH3S3O13 sheet, Zr is bonded to seven O atoms to form ZrO7 pentagonal bipyramids that share corners with five SO4 tetrahedra and an edgeedge with one SO4 tetrahedra. There are a spread of Zr–O bond distances ranging from 2.07–2.22 Å. There are three inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.51 Å) H–O bond length. In the second H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the third H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. There are three inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share an edgeedge with one ZrO7 pentagonal bipyramid. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent ZrO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. In the third S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent ZrO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Zr and one S atom. In the second O site, O is bonded in a linear geometry to one Zr and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Zr and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Zr and one S atom. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three H atoms. In the seventh O site, O is bonded in a water-like geometry to one Zr and one S atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one H and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a water-like geometry to one Zr and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one H and one S atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Zr and one S atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one H and one S atom.
DOI: 10.17188/1714701
title: Materials Data on U(GeRh)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: 10.17188/1714702
title: Materials Data on Ti3Mn3(TeO8)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: 10.17188/1714703
title: Materials Data on Mg3FeO4 by Materials Project

description: Mg3FeO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent FeO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.14 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 2.14 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Fe2+ atoms to form OMg4Fe2 octahedra that share corners with six equivalent OMg4Fe2 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.14 Å. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMg4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Fe2+ atoms to form a mixture of corner and edge-sharing OMg4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1714704
title: Materials Data on Ho3Ga8Ag3 by Materials Project

description: Ho3Ag3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form HoGa12 cuboctahedra that share edges with two equivalent AgHo4Ga4Ag4 cuboctahedra and faces with two equivalent HoGa12 cuboctahedra. There are eight shorter (3.23 Å) and four longer (3.24 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 10-coordinate geometry to four Ag and ten Ga atoms. There are two shorter (3.18 Å) and two longer (3.42 Å) Ho–Ag bond lengths. There are a spread of Ho–Ga bond distances ranging from 3.08–3.33 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ho, four equivalent Ag, and four equivalent Ga atoms to form distorted AgHo4Ga4Ag4 cuboctahedra that share edges with two equivalent HoGa12 cuboctahedra and faces with two equivalent AgHo4Ga4Ag4 cuboctahedra. All Ag–Ag bond lengths are 2.83 Å. All Ag–Ga bond lengths are 2.78 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Ag, and six Ga atoms. There are two shorter (2.66 Å) and four longer (2.87 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Ho, three Ag, and three equivalent Ga atoms. There are two shorter (2.62 Å) and one longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four Ho, one Ag, and four Ga atoms. The Ga–Ga bond length is 2.50 Å.
DOI: 10.17188/1714706
title: Materials Data on V3CoCu2(PO4)6 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: 10.17188/1714707
title: Materials Data on Li5Mn2CoO8 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: 10.17188/1714708
title: Materials Data on ZnAsO5 by Materials Project

description: ZnAsO5 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two ZnAsO5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with five AsO4 tetrahedra and edges with two ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.02–2.19 Å. In the second Zn site, Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with five AsO4 tetrahedra and edges with two ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.01–2.21 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with five ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. There is one shorter (1.73 Å) and three longer (1.74 Å) As–O bond length. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with five ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two Zn and one As atom. In the second O site, O is bonded in a single-bond geometry to one Zn atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one As atom. In the fourth O site, O is bonded in a single-bond geometry to one As atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one As atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Zn and one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Zn and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one Zn atom. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one As atom. In the tenth O site, O is bonded in a single-bond geometry to one As atom.
DOI: 10.17188/1714709
title: Materials Data on Ca3Zr2N4 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: 10.17188/1714710
title: Materials Data on Sr3La2Fe4CoO15 by Materials Project

description: Sr3La2Fe4CoO15 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with three equivalent LaO12 cuboctahedra, corners with nine SrO12 cuboctahedra, faces with three equivalent SrO12 cuboctahedra, faces with three equivalent LaO12 cuboctahedra, faces with three equivalent CoO6 octahedra, and faces with five FeO6 octahedra. There are six shorter (2.76 Å) and six longer (2.79 Å) Sr–O bond lengths. In the second Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight FeO6 octahedra. All Sr–O bond lengths are 2.76 Å. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with three equivalent SrO12 cuboctahedra, corners with nine equivalent LaO12 cuboctahedra, faces with six SrO12 cuboctahedra, a faceface with one CoO6 octahedra, and faces with seven FeO6 octahedra. There are a spread of La–O bond distances ranging from 2.64–2.82 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with three equivalent FeO6 octahedra, corners with three equivalent CoO6 octahedra, faces with three equivalent LaO12 cuboctahedra, and faces with five SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–5°. There is three shorter (1.96 Å) and three longer (1.98 Å) Fe–O bond length. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six FeO6 octahedra, faces with four SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Fe–O bond lengths are 1.95 Å. Co is bonded to six equivalent O atoms to form CoO6 octahedra that share corners with six equivalent FeO6 octahedra, faces with two equivalent LaO12 cuboctahedra, and faces with six equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. All Co–O bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to two equivalent Sr, two equivalent La, and two equivalent Fe atoms. In the second O site, O is bonded to three equivalent Sr, one La, one Fe, and one Co atom to form a mixture of distorted face, edge, and corner-sharing OSr3LaFeCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the third O site, O is bonded to two Sr, two equivalent La, and two Fe atoms to form a mixture of distorted face, edge, and corner-sharing OSr2La2Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.