cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1683521
title: Materials Data on Ba2ZnAg by Materials Project

description: Ba2AgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2AgZn ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Ag and one Zn atom. The Ba–Ag bond length is 3.30 Å. The Ba–Zn bond length is 3.52 Å. Ag is bonded in a linear geometry to two equivalent Ba atoms. Zn is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1683522
title: Materials Data on MgCd2 by Materials Project

description: MgCd2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg is bonded to six equivalent Cd atoms to form a mixture of corner and edge-sharing MgCd6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.83 Å) and four longer (2.91 Å) Mg–Cd bond lengths. Cd is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.
DOI: 10.17188/1683523
title: Materials Data on Ba2ZnSn by Materials Project

description: Ba2ZnSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2ZnSn ribbons oriented in the (1, 0, 0) direction. Ba is bonded in a linear geometry to one Zn and one Sn atom. The Ba–Zn bond length is 3.55 Å. The Ba–Sn bond length is 3.17 Å. Zn is bonded in a linear geometry to two equivalent Ba atoms. Sn is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1683524
title: Materials Data on Li3Mo(PO4)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: 10.17188/1683526
title: Materials Data on La10Mn9O30 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: 10.17188/1683527
title: Materials Data on CaAl2O12 by Materials Project

description: CaO7Al2O3O2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two hexaoxane molecules and one CaO7Al2O3 framework. In the CaO7Al2O3 framework, Ca is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Ca–O bond distances ranging from 2.12–2.94 Å. Al is bonded to five O atoms to form distorted edge-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.70–2.14 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ca and one Al atom. In the second O site, O is bonded in a trigonal planar geometry to one Ca and two equivalent O atoms. Both O–O bond lengths are 1.39 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ca, one Al, and one O atom. The O–O bond length is 1.41 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Ca and two equivalent O atoms. Both O–O bond lengths are 1.47 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two equivalent Al and one O atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Al and one O atom.
DOI: 10.17188/1683528
title: Materials Data on Sr4Cu2MoWO12 by Materials Project

description: Sr4WMoCu2O12 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. Sr2+ is bonded to eight O2- atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent SrO8 cuboctahedra, edges with six equivalent SrO8 cuboctahedra, edges with two equivalent WO6 octahedra, edges with two equivalent MoO6 octahedra, and edges with four CuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.66–2.76 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six CuO6 octahedra and edges with eight equivalent SrO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. All W–O bond lengths are 1.95 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six CuO6 octahedra and edges with eight equivalent SrO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. All Mo–O bond lengths are 1.95 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with four equivalent WO6 octahedra, and edges with eight equivalent SrO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are four shorter (2.00 Å) and two longer (2.31 Å) Cu–O bond lengths. In the second Cu2+ site, Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent MoO6 octahedra, and edges with eight equivalent SrO8 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–20°. There are four shorter (2.00 Å) and two longer (2.30 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cu2+ atom to form distorted OSr4CuW octahedra that share corners with six equivalent OSr4CuW octahedra and edges with four equivalent OSr4CuMo octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Mo6+, and one Cu2+ atom to form distorted OSr4CuMo octahedra that share corners with six equivalent OSr4CuMo octahedra and edges with four equivalent OSr4CuW octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Mo6+, and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one W6+, and one Cu2+ atom.
DOI: 10.17188/1683529
title: Materials Data on Ba2LiTeO6 by Materials Project

description: LiBa2TeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.22 Å. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent TeO6 octahedra. All Ba–O bond lengths are 2.95 Å. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.95 Å. O is bonded in a distorted linear geometry to one Li, four equivalent Ba, and one Te atom.
DOI: 10.17188/1683530
title: Materials Data on H12C2N14O by Materials Project

description: (CN6H3)2(NH2)2H2O crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four ammonia molecules, two water molecules, and two CN6H3 clusters. In each CN6H3 cluster, C4+ is bonded in a trigonal planar geometry to three N+1.29- atoms. There is two shorter (1.35 Å) and one longer (1.38 Å) C–N bond length. There are six inequivalent N+1.29- sites. In the first N+1.29- site, N+1.29- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N+1.29- atom. The N–N bond length is 1.28 Å. In the second N+1.29- site, N+1.29- is bonded in a distorted single-bond geometry to one C4+ and one N+1.29- atom. The N–N bond length is 1.33 Å. In the third N+1.29- site, N+1.29- is bonded in a distorted single-bond geometry to one C4+, one N+1.29-, and one H1+ atom. The N–N bond length is 1.33 Å. The N–H bond length is 1.76 Å. In the fourth N+1.29- site, N+1.29- is bonded in a water-like geometry to two N+1.29- atoms. The N–N bond length is 1.34 Å. In the fifth N+1.29- site, N+1.29- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.05–1.07 Å. In the sixth N+1.29- site, N+1.29- is bonded in a water-like geometry to two N+1.29- atoms. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.29- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two N+1.29- atoms. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.29- atom.
DOI: 10.17188/1683531
title: Materials Data on MnTe2O5 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: 10.17188/1683533
title: Materials Data on NaCaGaSi2O7 by Materials Project

description: NaCaGaSi2O7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.85 Å. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.44–2.86 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.84–1.87 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent GaO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, and two Si4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, one Ga3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+, one Ga3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, one Ga3+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Ga3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ca2+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ca2+, and one Si4+ atom.
DOI: 10.17188/1683534
title: Materials Data on KFeBP2HO9 by Materials Project

description: KFeBP2HO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.42 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share a cornercorner with one BO4 tetrahedra and corners with five PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.16 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one FeO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent FeO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Fe3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one B3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Fe3+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Fe3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+, one B3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Fe3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Fe3+, one B3+, and one H1+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one P5+ atom.
DOI: 10.17188/1683535
title: Materials Data on BaLi2NiO3 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: 10.17188/1683536
title: Materials Data on Hg2I3Br by Materials Project

description: HgI2HgBrI crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two 13444-76-3 molecules and one HgI2 sheet oriented in the (0, 0, 1) direction. In the HgI2 sheet, Hg2+ is bonded to six I1- atoms to form edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.66–3.66 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms.
DOI: 10.17188/1683537
title: Materials Data on Sr2Fe2O5 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: 10.17632/3rjg73wc6f.1
title: MG-RAST saliva microbiome

description: The file contains data on human saliva metagenomas retrieved from the MG-RAST portal in August 2020.
DOI: 10.17188/1683538
title: Materials Data on Ti2Si6Mo by Materials Project

description: Ti2MoSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ti3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ti–Si bond distances ranging from 2.56–2.79 Å. Mo2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Mo–Si bond distances ranging from 2.58–2.73 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to two equivalent Ti3+, three equivalent Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.53–2.73 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one Mo2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.55–2.81 Å.
DOI: 10.17188/1683539
title: Materials Data on HfSiTc2 by Materials Project

description: HfTc2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfTc2Si ribbons oriented in the (1, 0, 0) direction. Hf4+ is bonded in a linear geometry to two equivalent Tc atoms. Both Hf–Tc bond lengths are 2.34 Å. Tc is bonded in a distorted linear geometry to one Hf4+ and one Si4- atom. The Tc–Si bond length is 2.30 Å. Si4- is bonded in a linear geometry to two equivalent Tc atoms.
DOI: 10.17188/1683540
title: Materials Data on La3Rh4Pb13 by Materials Project

description: La3Rh4Pb13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Pb atoms. All La–Rh bond lengths are 3.61 Å. There are four shorter (3.57 Å) and eight longer (3.59 Å) La–Pb bond lengths. Rh is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Pb atoms. All Rh–Pb bond lengths are 2.79 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to three equivalent La, two equivalent Rh, and four Pb atoms. There are a spread of Pb–Pb bond distances ranging from 3.16–3.52 Å. In the second Pb site, Pb is bonded in a cuboctahedral geometry to twelve equivalent Pb atoms.
DOI: 10.17188/1683541
title: Materials Data on Bi by Materials Project

description: Bi is beta oxygen-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two dibismuthene molecules. Bi is bonded in a single-bond geometry to one Bi atom. The Bi–Bi bond length is 2.66 Å.
DOI: 10.17188/1683543
title: Materials Data on Y2Fe3Si5 by Materials Project

description: Y2Fe3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine Si+2.40- atoms. There are a spread of Y–Si bond distances ranging from 2.75–3.04 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to six Si+2.40- atoms to form a mixture of distorted edge, face, and corner-sharing FeSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Fe–Si bond distances ranging from 2.34–2.41 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.32 Å) and two longer (2.59 Å) Fe–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to three equivalent Y3+, four Fe2+, and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Y3+, three Fe2+, and four Si+2.40- atoms. Both Si–Si bond lengths are 2.74 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Fe2+ atoms.
DOI: 10.17188/1683544
title: Materials Data on FeTe3O8 by Materials Project

description: FeTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Fe2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Fe–O bond lengths are 2.02 Å. Te+4.67+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe2+ and one Te+4.67+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te+4.67+ atoms.
DOI: 10.17188/1683545
title: Materials Data on Dy6Cl13 by Materials Project

description: Dy6Cl13 is Baddeleyite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to seven Cl atoms to form a mixture of distorted corner and edge-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.88 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.71–2.93 Å. In the third Dy site, Dy is bonded in a 7-coordinate geometry to seven Cl atoms. There are a spread of Dy–Cl bond distances ranging from 2.64–3.08 Å. There are seven inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to three Dy atoms. In the second Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy atoms. In the third Cl site, Cl is bonded to four equivalent Dy atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fourth Cl site, Cl is bonded to four Dy atoms to form a mixture of corner and edge-sharing ClDy4 tetrahedra. In the fifth Cl site, Cl is bonded in a trigonal planar geometry to three Dy atoms. In the sixth Cl site, Cl is bonded to four Dy atoms to form a mixture of distorted corner and edge-sharing ClDy4 trigonal pyramids. In the seventh Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Dy atoms.
DOI: 10.17188/1683546
title: Materials Data on Bi2(CN2)3 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: 10.17188/1683547
title: Materials Data on Tb(GeIr)2 by Materials Project

description: Tb(IrGe)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.20 Å) and four longer (3.36 Å) Tb–Ir bond lengths. There are four shorter (3.24 Å) and four longer (3.26 Å) Tb–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Tb and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb and five Ir atoms.
DOI: 10.17188/1683548
title: Materials Data on KLaCO4 by Materials Project

description: LaKOCO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.01 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.77 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, two equivalent La3+, and one C4+ atom.