cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1747467
title: Materials Data on MgSc2Ir by Materials Project

description: MgSc2Ir crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Ir ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Sc atoms. Both Mg–Sc bond lengths are 3.17 Å. Sc is bonded in a distorted linear geometry to one Mg and one Ir atom. The Sc–Ir bond length is 2.29 Å. Ir is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1747468
title: Materials Data on Tb2MgTiO6 by Materials Project

description: MgTb2TiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–37°. There are two shorter (2.09 Å) and four longer (2.10 Å) Mg–O bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.26–2.81 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 34–37°. There are a spread of Ti–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Tb3+, and one Ti4+ atom to form distorted corner-sharing OTb2MgTi trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tb3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tb3+, and one Ti4+ atom.
DOI: 10.17188/1747469
title: Materials Data on U(MoO4)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: 10.17188/1747470
title: Materials Data on Ce2Fe(SeO)2 by Materials Project

description: Ce2O2FeSe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 3-coordinate geometry to five equivalent Se2- and three equivalent O2- atoms. There are a spread of Ce–Se bond distances ranging from 3.12–3.30 Å. There are two shorter (2.32 Å) and one longer (2.39 Å) Ce–O bond lengths. Fe2+ is bonded in a distorted linear geometry to four equivalent Se2- and two equivalent O2- atoms. All Fe–Se bond lengths are 2.83 Å. Both Fe–O bond lengths are 2.02 Å. Se2- is bonded in a 7-coordinate geometry to five equivalent Ce3+ and two equivalent Fe2+ atoms. O2- is bonded to three equivalent Ce3+ and one Fe2+ atom to form a mixture of corner and edge-sharing OCe3Fe tetrahedra.
DOI: 10.17188/1747471
title: Materials Data on TaTiGaO6 by Materials Project

description: GaTiTaO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent GaO6 octahedra, an edgeedge with one TaO6 octahedra, and an edgeedge with one GaO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is two shorter (1.97 Å) and four longer (1.99 Å) Ti–O bond length. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent GaO6 octahedra, an edgeedge with one TiO6 octahedra, and an edgeedge with one GaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are a spread of Ta–O bond distances ranging from 1.99–2.02 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four equivalent TaO6 octahedra, an edgeedge with one TiO6 octahedra, and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are two shorter (2.00 Å) and four longer (2.02 Å) Ga–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+, one Ta5+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+, one Ta5+, and one Ga3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+, one Ta5+, and one Ga3+ atom.
DOI: 10.17188/1747472
title: Materials Data on PmHo3 by Materials Project

description: Ho3Pm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Pm atoms to form HoPm4Ho8 cuboctahedra that share corners with twelve equivalent HoPm4Ho8 cuboctahedra, edges with eight equivalent PmHo12 cuboctahedra, edges with sixteen equivalent HoPm4Ho8 cuboctahedra, faces with four equivalent PmHo12 cuboctahedra, and faces with fourteen equivalent HoPm4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. All Ho–Pm bond lengths are 3.55 Å. Pm is bonded to twelve equivalent Ho atoms to form PmHo12 cuboctahedra that share corners with twelve equivalent PmHo12 cuboctahedra, edges with twenty-four equivalent HoPm4Ho8 cuboctahedra, faces with six equivalent PmHo12 cuboctahedra, and faces with twelve equivalent HoPm4Ho8 cuboctahedra.
DOI: 10.17188/1747473
title: Materials Data on Li3NiPCO7 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: 10.17188/1747474
title: Materials Data on SrGdCoO4 by Materials Project

description: GdSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.70 Å. Gd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.74 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.90–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, three equivalent Gd3+, and one Co3+ atom to form distorted OSr2Gd3Co octahedra that share corners with seventeen OSr2Gd2Co2 octahedra, edges with eight OSr2Gd3Co octahedra, and faces with four equivalent OSr2Gd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Gd3+, and one Co3+ atom to form distorted OSr3Gd2Co octahedra that share corners with seventeen OSr2Gd2Co2 octahedra, edges with eight OSr2Gd3Co octahedra, and faces with four equivalent OSr2Gd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Co3+ atoms to form a mixture of distorted edge, corner, and face-sharing OSr2Gd2Co2 octahedra. The corner-sharing octahedra tilt angles range from 1–56°.
DOI: 10.17188/1747475
title: Materials Data on Rb2NdCuI6 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: 10.17188/1747476
title: Materials Data on KSm2Cl7 by Materials Project

description: KSm2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.26–3.82 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.83 Å. In the second Sm3+ site, Sm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.80 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Sm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Sm3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Sm3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Sm3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Sm3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and two Sm3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Sm3+ atoms.
DOI: 10.17188/1747477
title: Materials Data on CrFeO3 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: 10.17188/1747478
title: Materials Data on La2Si2O5 by Materials Project

description: La2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. All La–O bond lengths are 2.74 Å. In the second La site, La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with eight equivalent SiO5 square pyramids. There are eight shorter (2.65 Å) and four longer (2.79 Å) La–O bond lengths. Si is bonded to five O atoms to form SiO5 square pyramids that share corners with five equivalent SiO5 square pyramids and faces with four equivalent LaO12 cuboctahedra. There is one shorter (1.83 Å) and four longer (1.97 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four La and two equivalent Si atoms to form a mixture of face, edge, and corner-sharing OLa4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the second O site, O is bonded in a linear geometry to four equivalent La and two equivalent Si atoms.
DOI: 10.17188/1747479
title: Materials Data on Li5Mn6(BO3)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: 10.17188/1747480
title: Materials Data on Sm2CdIn by Materials Project

description: Sm2CdIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent In atoms. All Sm–Cd bond lengths are 3.32 Å. All Sm–In bond lengths are 3.32 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1747481
title: Materials Data on CsH2CN5 by Materials Project

description: CsCN5H2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine N+1.40- atoms. There are a spread of Cs–N bond distances ranging from 3.28–3.54 Å. C4+ is bonded in a trigonal planar geometry to three N+1.40- atoms. There is two shorter (1.35 Å) and one longer (1.38 Å) C–N bond length. There are three inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one C4+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N+1.40- site, N+1.40- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two N+1.40- atoms. There is one shorter (1.31 Å) and one longer (1.36 Å) N–N bond length. In the third N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to two equivalent Cs1+, one C4+, and one N+1.40- atom. H1+ is bonded in a single-bond geometry to one N+1.40- atom.
DOI: 10.17188/1747482
title: Materials Data on YIr3 by Materials Project

description: Ir3Y crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Y–Ir bond distances ranging from 3.06–3.31 Å. In the second Y site, Y is bonded in a distorted hexagonal planar geometry to eighteen Ir atoms. There are six shorter (3.08 Å) and twelve longer (3.43 Å) Y–Ir bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded to five Y and seven Ir atoms to form a mixture of distorted corner, edge, and face-sharing IrY5Ir7 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.63–2.70 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Ir atoms. In the third Ir site, Ir is bonded to six equivalent Y and six equivalent Ir atoms to form IrY6Ir6 cuboctahedra that share corners with twelve equivalent IrY5Ir7 cuboctahedra, edges with six equivalent IrY6Ir6 cuboctahedra, and faces with eighteen equivalent IrY5Ir7 cuboctahedra.
DOI: 10.17188/1747483
title: Materials Data on Na2Mn2O3 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: 10.17188/1747485
title: Materials Data on Ce2Mg by Materials Project

description: MgCe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ce atoms to form MgCe7Mg5 cuboctahedra that share corners with two equivalent MgCe7Mg5 cuboctahedra, corners with five equivalent CeCe7Mg5 cuboctahedra, edges with six equivalent MgCe7Mg5 cuboctahedra, edges with six equivalent CeCe7Mg5 cuboctahedra, faces with seven equivalent MgCe7Mg5 cuboctahedra, and faces with seven equivalent CeCe7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.25 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.63 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to two equivalent Mg and ten Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.91–3.74 Å. In the second Ce site, Ce is bonded to five equivalent Mg and seven Ce atoms to form distorted CeCe7Mg5 cuboctahedra that share corners with two equivalent CeCe7Mg5 cuboctahedra, corners with five equivalent MgCe7Mg5 cuboctahedra, edges with six equivalent MgCe7Mg5 cuboctahedra, edges with twelve equivalent CeCe7Mg5 cuboctahedra, faces with four equivalent CeCe7Mg5 cuboctahedra, and faces with seven equivalent MgCe7Mg5 cuboctahedra. Both Ce–Ce bond lengths are 3.25 Å.
DOI: 10.17188/1747486
title: Materials Data on Sr2ScReO6 by Materials Project

description: Sr2ScReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent ScO6 octahedra, and faces with four equivalent ReO6 octahedra. All Sr–O bond lengths are 2.87 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.08 Å. Re5+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.97 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Sc3+, and one Re5+ atom.
DOI: 10.17188/1747487
title: Materials Data on Cr3C8(NCl2)6 by Materials Project

description: Cr3C4(NCl3)4(C2N)2 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of four ch3nc molecules and two Cr3C4(NCl3)4 ribbons oriented in the (1, 0, 0) direction. In each Cr3C4(NCl3)4 ribbon, there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form face-sharing CrCl6 octahedra. There are two shorter (2.37 Å) and four longer (2.39 Å) Cr–Cl bond lengths. In the second Cr2+ site, Cr2+ is bonded to six Cl1- atoms to form distorted face-sharing CrCl6 octahedra. There are a spread of Cr–Cl bond distances ranging from 2.23–2.96 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a trigonal planar geometry to one N3- and two equivalent Cl1- atoms. The C–N bond length is 1.32 Å. Both C–Cl bond lengths are 1.71 Å. In the second C3+ site, C3+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two C3+ atoms. In the second N3- site, N3- is bonded in a 1-coordinate geometry to three Cl1- atoms. There are one shorter (3.61 Å) and two longer (3.62 Å) N–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Cr2+ and one C3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Cr2+ and one N3- atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two Cr2+ and one N3- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr2+ atom.
DOI: 10.17188/1747488
title: Materials Data on Ce3Ge5 by Materials Project

description: Ce3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.02–3.53 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Ce–Ge bond distances ranging from 3.04–3.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Ce and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.63 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Ce and two equivalent Ge atoms.
DOI: 10.17188/1747489
title: Materials Data on Mg2CuSi3 by Materials Project

description: Mg2CuSi3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Mg, three equivalent Cu, and nine equivalent Si atoms. There are one shorter (2.95 Å) and three longer (3.21 Å) Mg–Mg bond lengths. All Mg–Cu bond lengths are 3.11 Å. There are three shorter (2.84 Å) and six longer (3.05 Å) Mg–Si bond lengths. Cu is bonded to six equivalent Mg and six equivalent Si atoms to form CuMg6Si6 cuboctahedra that share corners with six equivalent CuMg6Si6 cuboctahedra, corners with twelve equivalent SiMg6Cu2Si4 cuboctahedra, edges with six equivalent CuMg6Si6 cuboctahedra, and faces with eighteen equivalent SiMg6Cu2Si4 cuboctahedra. All Cu–Si bond lengths are 2.47 Å. Si is bonded to six equivalent Mg, two equivalent Cu, and four equivalent Si atoms to form SiMg6Cu2Si4 cuboctahedra that share corners with four equivalent CuMg6Si6 cuboctahedra, corners with fourteen equivalent SiMg6Cu2Si4 cuboctahedra, edges with six equivalent SiMg6Cu2Si4 cuboctahedra, faces with six equivalent CuMg6Si6 cuboctahedra, and faces with twelve equivalent SiMg6Cu2Si4 cuboctahedra. All Si–Si bond lengths are 2.67 Å.
DOI: 10.17188/1747490
title: Materials Data on K2YAgI6 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: 10.17188/1747491
title: Materials Data on KGaGe3O8 by Materials Project

description: KGaGe3O8 crystallizes in the triclinic P-1 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 2.78–3.36 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four GeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.85 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with three GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GaO4 tetrahedra and corners with three GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra and corners with two GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.74–1.79 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ga3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Ga3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Ga3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Ga3+, and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Ge4+ atoms.