cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1688084
title: Materials Data on Ag3As by Materials Project

description: Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.
DOI: 10.17188/1688085
title: Materials Data on Li2Co3(SeO3)4 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: 10.17188/1688086
title: Materials Data on Eu2AgSn by Materials Project

description: Eu2AgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Sn atoms. All Eu–Ag bond lengths are 3.36 Å. All Eu–Sn bond lengths are 3.36 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1688087
title: Materials Data on YbCuSe2 by Materials Project

description: YbCuSe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra, edges with six equivalent YbSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. There are three shorter (2.86 Å) and three longer (2.98 Å) Yb–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with six equivalent YbSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, and edges with three equivalent YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 20–55°. There are one shorter (2.36 Å) and three longer (2.47 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to three equivalent Yb3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded to three equivalent Yb3+ and three equivalent Cu1+ atoms to form distorted edge-sharing SeYb3Cu3 octahedra.
DOI: 10.17188/1688088
title: Materials Data on Al13(CuS8)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: 10.17188/1688089
title: Materials Data on KTcO2 by Materials Project

description: KTcO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. K1+ is bonded to six equivalent O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.59 Å) and two longer (2.87 Å) K–O bond lengths. Tc3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Tc–O bond lengths are 2.05 Å. O2- is bonded to three equivalent K1+ and two equivalent Tc3+ atoms to form a mixture of distorted edge and corner-sharing OK3Tc2 square pyramids.
DOI: 10.17188/1688090
title: Materials Data on CN3Cl by Materials Project

description: CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.
DOI: 10.17188/1688091
title: Materials Data on SrLa2Mn2O7 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: 10.17188/1688092
title: Materials Data on Na3Mg by Materials Project

description: Na3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Mg atoms to form distorted NaNa8Mg4 cuboctahedra that share corners with four equivalent MgNa12 cuboctahedra, corners with fourteen equivalent NaNa8Mg4 cuboctahedra, edges with six equivalent MgNa12 cuboctahedra, edges with twelve equivalent NaNa8Mg4 cuboctahedra, faces with four equivalent MgNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Mg4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.52–3.74 Å. There are two shorter (3.51 Å) and two longer (3.63 Å) Na–Mg bond lengths. Mg is bonded to twelve equivalent Na atoms to form MgNa12 cuboctahedra that share corners with six equivalent MgNa12 cuboctahedra, corners with twelve equivalent NaNa8Mg4 cuboctahedra, edges with eighteen equivalent NaNa8Mg4 cuboctahedra, faces with eight equivalent MgNa12 cuboctahedra, and faces with twelve equivalent NaNa8Mg4 cuboctahedra.
DOI: 10.17188/1688093
title: Materials Data on Ba(ErS2)2 by Materials Project

description: Ba(ErS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.20–3.37 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–60°. There are a spread of Er–S bond distances ranging from 2.70–2.77 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–60°. There are a spread of Er–S bond distances ranging from 2.68–2.76 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing SBa2Er3 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Er3+ atoms. In the third S2- site, S2- is bonded to two equivalent Ba2+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing SBa2Er3 square pyramids. In the fourth S2- site, S2- is bonded to two equivalent Ba2+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing SBa2Er3 trigonal bipyramids.
DOI: 10.17188/1688094
title: Materials Data on TiSO6 by Materials Project

description: TiO2(SO4) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra and corners with three equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Ti–O bond distances ranging from 1.85–2.05 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 15–38°. There are a spread of S–O bond distances ranging from 1.45–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Ti atoms. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ti and one S atom. In the fourth O site, O is bonded in a linear geometry to one Ti and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one Ti atom.
DOI: 10.17188/1688095
title: Materials Data on Sn3WO6 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: 10.17188/1688096
title: Materials Data on LiMnF3 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: 10.17188/1688097
title: Materials Data on HoSnAu by Materials Project

description: HoAuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to six equivalent Au and six equivalent Sn atoms to form a mixture of edge and face-sharing HoSn6Au6 cuboctahedra. All Ho–Au bond lengths are 3.29 Å. All Ho–Sn bond lengths are 3.29 Å. Au is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Au–Sn bond lengths are 2.72 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Au atoms.
DOI: 10.17188/1688098
title: Materials Data on SmH6C2SNO9 by Materials Project

description: SmC2H2SO9NH4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four ammonium molecules and one SmC2H2SO9 framework. In the SmC2H2SO9 framework, Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.50 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one S2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one S2- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a water-like geometry to one Sm3+ and two H1+ atoms.
DOI: 10.17188/1688099
title: Materials Data on GeWO4 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: 10.17188/1688100
title: Materials Data on Rb2SrV4O12 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: 10.17188/1688101
title: Materials Data on LaAl2Pt3 by Materials Project

description: LaPt3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve equivalent Pt and six equivalent Al atoms. All La–Pt bond lengths are 3.46 Å. All La–Al bond lengths are 3.26 Å. Pt is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Al atoms. All Pt–Al bond lengths are 2.58 Å. Al is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Pt atoms.
DOI: 10.17188/1688102
title: Materials Data on LiGa(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: 10.17188/1688104
title: Materials Data on ScSeO3F by Materials Project

description: ScSeO3F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sc3+ is bonded to five O2- and two equivalent F1- atoms to form a mixture of distorted corner and edge-sharing ScO5F2 pentagonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.15–2.29 Å. There are one shorter (2.06 Å) and one longer (2.07 Å) Sc–F bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sc3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sc3+ and one Se4+ atom. F1- is bonded in a linear geometry to two equivalent Sc3+ atoms.
DOI: 10.17188/1688105
title: Materials Data on Cs2InGaBr6 by Materials Project

description: Cs2InGaBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, faces with four equivalent InBr6 octahedra, and faces with four equivalent GaBr6 octahedra. All Cs–Br bond lengths are 4.05 Å. In1+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent GaBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.74 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent InBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.99 Å. Br1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Ga3+ atom.
DOI: 10.17188/1688106
title: Materials Data on Li3Co(NiO3)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: 10.17188/1688107
title: Materials Data on ZrSn by Materials Project

description: ZrSn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.03–3.34 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.93–3.19 Å. In the third Zr site, Zr is bonded in a 12-coordinate geometry to four Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.04–3.20 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Zr and four equivalent Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.95–3.09 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Zr atoms. In the third Sn site, Sn is bonded in a 10-coordinate geometry to ten Zr atoms.
DOI: 10.17188/1688108
title: Materials Data on GaFeAs2 by Materials Project

description: FeGaAs2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Fe3+ is bonded to four As3- atoms to form FeAs4 tetrahedra that share corners with four equivalent FeAs4 tetrahedra and corners with eight equivalent GaAs4 tetrahedra. There are three shorter (2.27 Å) and one longer (2.28 Å) Fe–As bond lengths. Ga3+ is bonded to four As3- atoms to form GaAs4 tetrahedra that share corners with four equivalent GaAs4 tetrahedra and corners with eight equivalent FeAs4 tetrahedra. There are three shorter (2.54 Å) and one longer (2.55 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to two equivalent Fe3+ and two equivalent Ga3+ atoms to form corner-sharing AsGa2Fe2 tetrahedra. In the second As3- site, As3- is bonded to two equivalent Fe3+ and two equivalent Ga3+ atoms to form corner-sharing AsGa2Fe2 tetrahedra.
DOI: 10.17188/1688109
title: Materials Data on Li2MgZrO4 by Materials Project

description: Li2MgZrO4 is Caswellsilverite-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent ZrO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent MgO6 octahedra, and edges with four equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are four shorter (2.13 Å) and two longer (2.42 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent MgO6 octahedra, and edges with four equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.14 Å) and two longer (2.38 Å) Li–O bond lengths. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MgO6 octahedra, edges with four equivalent ZrO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. All Mg–O bond lengths are 2.14 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent ZrO6 octahedra, edges with four equivalent MgO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are two shorter (2.10 Å) and four longer (2.13 Å) Zr–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, two equivalent Mg2+, and one Zr4+ atom to form OLi3Mg2Zr octahedra that share corners with six OLi3Mg2Zr octahedra and edges with twelve OLi3MgZr2 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The O–Li bond length is 2.42 Å. In the second O2- site, O2- is bonded to three Li1+, one Mg2+, and two equivalent Zr4+ atoms to form OLi3MgZr2 octahedra that share corners with six OLi3MgZr2 octahedra and edges with twelve OLi3Mg2Zr octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Mg2+, and one Zr4+ atom to form a mixture of edge and corner-sharing OLi3Mg2Zr octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the fourth O2- site, O2- is bonded to three Li1+, one Mg2+, and two equivalent Zr4+ atoms to form OLi3MgZr2 octahedra that share corners with six OLi3MgZr2 octahedra and edges with twelve OLi3Mg2Zr octahedra. The corner-sharing octahedra tilt angles range from 0–6°. Both O–Li bond lengths are 2.13 Å. Both O–Zr bond lengths are 2.13 Å.
DOI: 10.17188/1688110
title: Materials Data on Eu2ScNbO7 by Materials Project

description: Eu2ScNbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with two equivalent EuO8 hexagonal bipyramids, edges with two equivalent ScO6 octahedra, and edges with four equivalent NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.26–2.68 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.63 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with two equivalent ScO6 octahedra, corners with four equivalent NbO6 octahedra, and edges with two equivalent EuO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 49–58°. There are four shorter (2.11 Å) and two longer (2.13 Å) Sc–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent ScO6 octahedra, and edges with four equivalent EuO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 42–49°. There are four shorter (2.00 Å) and two longer (2.02 Å) Nb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with six OEu4 tetrahedra and an edgeedge with one OEu2Sc2 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Sc2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+, one Sc3+, and one Nb5+ atom.