cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1283260
title: Materials Data on Na2CaSn2(GeO4)3 by Materials Project

description: Na2CaSn2Ge3O12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.60 Å. Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.55 Å) Ca–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.10 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sn4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, one Sn4+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, one Sn4+, and one Ge4+ atom.
DOI: 10.17188/1283261
title: Materials Data on RbHF2 by Materials Project

description: RbHF2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.91–3.05 Å. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.14 Å) and one longer (1.16 Å) H–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to four equivalent Rb1+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to four equivalent Rb1+ and one H1+ atom.
DOI: 10.17188/1283262
title: Materials Data on Cu2GeSe3 by Materials Project

description: Cu2GeSe3 is Enargite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five GeSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are two shorter (2.41 Å) and two longer (2.43 Å) Cu–Se bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five GeSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the third Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five GeSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.41–2.43 Å. In the fourth Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five GeSe4 tetrahedra and corners with seven CuSe4 tetrahedra. There are three shorter (2.41 Å) and one longer (2.44 Å) Cu–Se bond lengths. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.54 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.54 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra. In the second Se2- site, Se2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra. In the third Se2- site, Se2- is bonded to two Cu1+ and two Ge4+ atoms to form corner-sharing SeCu2Ge2 tetrahedra. In the fourth Se2- site, Se2- is bonded to two Cu1+ and two Ge4+ atoms to form corner-sharing SeCu2Ge2 tetrahedra. In the fifth Se2- site, Se2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra. In the sixth Se2- site, Se2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra.
DOI: 10.17188/1283264
title: Materials Data on KBaAl3Si5O16 (SG:1) 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: 10.17188/1283267
title: Materials Data on Ce9YO20 by Materials Project

description: Ce9YO20 is Fluorite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ce sites. In the first Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.37 Å. In the second Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.38 Å. In the third Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. All Ce–O bond lengths are 2.36 Å. In the fourth Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.37 Å. In the fifth Ce site, Ce is bonded in a body-centered cubic geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.37 Å. Y is bonded in a body-centered cubic geometry to eight O atoms. All Y–O bond lengths are 2.38 Å. There are ten inequivalent O sites. In the first O site, O is bonded to four Ce atoms to form OCe4 tetrahedra that share corners with sixteen OCe3Y tetrahedra and edges with six OCe4 tetrahedra. In the second O site, O is bonded to three Ce and one Y atom to form OCe3Y tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Y tetrahedra. In the third O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the fourth O site, O is bonded to three Ce and one Y atom to form OCe3Y tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Y tetrahedra. In the fifth O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the sixth O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the seventh O site, O is bonded to three Ce and one Y atom to form OCe3Y tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Y tetrahedra. In the eighth O site, O is bonded to four Ce atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Y tetrahedra. In the ninth O site, O is bonded to three Ce and one Y atom to form a mixture of edge and corner-sharing OCe3Y tetrahedra. In the tenth O site, O is bonded to four Ce atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1283268
title: Materials Data on Gd2CdSe4 by Materials Project

description: Gd2CdSe4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.87–3.30 Å. Cd2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (2.81 Å) and four longer (3.36 Å) Cd–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to four equivalent Gd3+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1283269
title: Materials Data on Li2CoCl4 by Materials Project

description: Li2CoCl4 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with two equivalent LiCl6 octahedra, corners with four equivalent CoCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There is two shorter (1.99 Å) and four longer (2.00 Å) Li–Cl bond length. In the second Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with two equivalent LiCl6 octahedra, edges with four equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (1.97 Å) and four longer (2.10 Å) Li–Cl bond lengths. Co2+ is bonded to six Cl1- atoms to form CoCl6 octahedra that share corners with four equivalent LiCl6 octahedra, edges with two equivalent CoCl6 octahedra, and edges with six LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 4–9°. There are four shorter (2.08 Å) and two longer (2.13 Å) Co–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Li1+ and one Co2+ atom to form a mixture of edge and corner-sharing ClLi4Co square pyramids. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two equivalent Co2+ atoms.
DOI: 10.17188/1283275
title: Materials Data on Yb(BiTe2)2 by Materials Project

description: YbBi2Te4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. There are four shorter (3.15 Å) and four longer (3.65 Å) Yb–Te bond lengths. Bi3+ is bonded to six equivalent Te2- atoms to form edge-sharing BiTe6 octahedra. There are a spread of Bi–Te bond distances ranging from 3.12–3.29 Å. Te2- is bonded in a 1-coordinate geometry to two equivalent Yb2+ and three equivalent Bi3+ atoms.
DOI: 10.17188/1283276
title: Materials Data on CuAs2Pb6Cl7O6 by Materials Project

description: CuPb6As2O6Cl7 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.35 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two O2- and three Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.44 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 3.10–3.33 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are two shorter (2.39 Å) and one longer (2.97 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 2.76–3.32 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.82 Å. In the second As3+ site, As3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All As–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one As3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one As3+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an octahedral geometry to six Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Pb2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu1+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1283283
title: Materials Data on BaNaIn2(PO4)3 by Materials Project

description: NaBaIn2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.49 Å. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.86–2.97 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.17 Å) and three longer (2.18 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.15 Å) and three longer (2.19 Å) In–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 20–54°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one In3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one In3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one In3+, and one P5+ atom.
DOI: 10.17188/1283284
title: Materials Data on BaLaZnRuO6 by Materials Project

description: BaLaZnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with four equivalent RuO6 octahedra, and faces with four equivalent ZnO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.73–3.07 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.83 Å) La–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–25°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ru–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are four shorter (2.11 Å) and two longer (2.12 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, two equivalent La3+, one Ru5+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OBa2La2ZnRu octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one La3+, one Ru5+, and one Zn2+ atom.
DOI: 10.17188/1283288
title: Materials Data on CaBe2(PO4)2 by Materials Project

description: CaBe2(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded to seven O2- atoms to form distorted CaO7 hexagonal pyramids that share corners with five BeO4 tetrahedra, corners with five PO4 tetrahedra, an edgeedge with one BeO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.43–2.61 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent CaO7 hexagonal pyramids and corners with four PO4 tetrahedra. There is one shorter (1.60 Å) and three longer (1.65 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two equivalent CaO7 hexagonal pyramids, corners with four PO4 tetrahedra, and an edgeedge with one CaO7 hexagonal pyramid. There are a spread of Be–O bond distances ranging from 1.62–1.65 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 CaO7 hexagonal pyramids and corners with four BeO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CaO7 hexagonal pyramids, corners with four BeO4 tetrahedra, and an edgeedge with one CaO7 hexagonal pyramid. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+, one Be2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Be2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Be2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Be2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Be2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Be2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Be2+, and one P5+ atom.
DOI: 10.17188/1283289
title: Materials Data on H24C8Se(NO2)2 by Materials Project

description: (N(CH3)4)2SeO4 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two SeO4 clusters. In each SeO4 cluster, Se2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.68 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se2- atom.
DOI: 10.17188/1283291
title: Materials Data on MgMo3S4 by Materials Project

description: MgMo3S4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form distorted MgS4 tetrahedra that share corners with twelve MoS5 square pyramids, an edgeedge with one MoS5 square pyramid, and an edgeedge with one MgS4 tetrahedra. There are a spread of Mg–S bond distances ranging from 2.42–2.51 Å. There are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five S2- atoms to form MoS5 square pyramids that share corners with four MoS5 square pyramids, corners with four equivalent MgS4 tetrahedra, and edges with five MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.62 Å. In the second Mo2+ site, Mo2+ is bonded to five S2- atoms to form MoS5 square pyramids that share corners with four MoS5 square pyramids, corners with three equivalent MgS4 tetrahedra, edges with five MoS5 square pyramids, and an edgeedge with one MgS4 tetrahedra. There are a spread of Mo–S bond distances ranging from 2.43–2.63 Å. In the third Mo2+ site, Mo2+ is bonded to five S2- atoms to form MoS5 square pyramids that share corners with four MoS5 square pyramids, corners with five equivalent MgS4 tetrahedra, and edges with five MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.58 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Mo2+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Mg2+ and four Mo2+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three Mo2+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Mo2+ atoms.
DOI: 10.17188/1283297
title: Materials Data on Y3U2O10 by Materials Project

description: U2Y3O10 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.41 Å. In the second U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.41 Å. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.38 Å. In the second Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.37 Å) and two longer (2.38 Å) Y–O bond lengths. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.39 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the second O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the fourth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the fifth O2- site, O2- is bonded to one U+5.50+ and three Y3+ atoms to form a mixture of corner and edge-sharing OY3U tetrahedra. In the sixth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the eighth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the ninth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two U+5.50+ and two Y3+ atoms to form a mixture of corner and edge-sharing OY2U2 tetrahedra.