cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1206882
title: Materials Data on P2PbO6 by Materials Project

description: Pb(PO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.91 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.47–3.06 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to two Pb2+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one P5+ atom.
DOI: 10.17188/1206883
title: Materials Data on Ta5N6 by Materials Project

description: Ta5N6 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta+3.60+ sites. In the first Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ta–N bond lengths are 2.25 Å. In the second Ta+3.60+ site, Ta+3.60+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. There are two shorter (2.17 Å) and four longer (2.27 Å) Ta–N bond lengths. N3- is bonded in a 5-coordinate geometry to five Ta+3.60+ atoms.
DOI: 10.17188/1206884
title: Materials Data on NaAlB14 by Materials Project

description: NaAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to sixteen B atoms. There are a spread of Na–B bond distances ranging from 2.53–2.83 Å. Al is bonded to twelve B atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.09–2.46 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two equivalent Na and six B atoms. There are a spread of B–B bond distances ranging from 1.77–1.88 Å. In the second B site, B is bonded in a 8-coordinate geometry to one Na, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the third B site, B is bonded in a 8-coordinate geometry to two equivalent Al and six B atoms. There is one shorter (1.83 Å) and one longer (1.85 Å) B–B bond length. In the fourth B site, B is bonded in a 7-coordinate geometry to one Na, two equivalent Al, and four B atoms. The B–B bond length is 2.15 Å. In the fifth B site, B is bonded in a 7-coordinate geometry to one Na and six B atoms. The B–B bond length is 1.76 Å.
DOI: 10.17188/1206885
title: Materials Data on Tl4CuTe3 by Materials Project

description: CuTl4Te3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cu2+ is bonded to six Te2- atoms to form corner-sharing CuTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–40°. There are two shorter (3.10 Å) and four longer (3.31 Å) Cu–Te bond lengths. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.09–3.55 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 10-coordinate geometry to two equivalent Cu2+ and eight equivalent Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent Cu2+ and six equivalent Tl1+ atoms.
DOI: 10.17188/1206886
title: Materials Data on MgAgAs by Materials Project

description: MgAgAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four equivalent Ag1+ and six equivalent As3- atoms. All Mg–Ag bond lengths are 2.73 Å. All Mg–As bond lengths are 3.15 Å. Ag1+ is bonded in a body-centered cubic geometry to four equivalent Mg2+ and four equivalent As3- atoms. All Ag–As bond lengths are 2.73 Å. As3- is bonded in a 10-coordinate geometry to six equivalent Mg2+ and four equivalent Ag1+ atoms.
DOI: 10.17188/1206887
title: Materials Data on Sr(GdSe2)2 by Materials Project

description: Sr(GdSe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.06 Å) and four longer (3.26 Å) Sr–Se bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.91–3.26 Å. Se2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Gd3+ atoms.
DOI: 10.17188/1206889
title: Materials Data on Ga2CuO4 by Materials Project

description: CuGa2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent CuO6 octahedra, and edges with four equivalent GaO6 octahedra. There are four shorter (2.00 Å) and two longer (2.32 Å) Cu–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with six equivalent CuO6 octahedra and corners with six equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. There is two shorter (1.89 Å) and two longer (1.91 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO4 tetrahedra, edges with two equivalent GaO6 octahedra, and edges with four equivalent CuO6 octahedra. There are four shorter (1.99 Å) and two longer (2.07 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Cu2+ and three Ga3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Cu2+ and two Ga3+ atoms.
DOI: 10.17188/1206890
title: Materials Data on Ag7NO11 by Materials Project

description: Ag7O8NO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Ag+2.43+ sites. In the first Ag+2.43+ site, Ag+2.43+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.47 Å. In the second Ag+2.43+ site, Ag+2.43+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Ag–O bond distances ranging from 2.11–2.61 Å. In the third Ag+2.43+ site, Ag+2.43+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.11 Å) Ag–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the second O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra. In the third O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of edge and corner-sharing OAg4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag+2.43+ and one N5+ atom. In the fifth O2- site, O2- is bonded to four Ag+2.43+ atoms to form a mixture of distorted edge and corner-sharing OAg4 tetrahedra.
DOI: 10.17188/1206891
title: Materials Data on CaAl9Ni by Materials Project

description: Al9NiCa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Al atoms to form distorted face-sharing CaAl12 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.45 Å) Ca–Al bond lengths. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are six shorter (2.48 Å) and three longer (2.50 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to two equivalent Ca, one Ni, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.74–2.88 Å. In the second Al site, Al is bonded in a distorted single-bond geometry to one Ni and eight equivalent Al atoms.
DOI: 10.17188/1206892
title: Materials Data on TmPd by Materials Project

description: TmPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 3.00 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1206893
title: Materials Data on NaYF4 by Materials Project

description: NaYF4 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 3-coordinate geometry to nine F1- atoms. There are a spread of Na–F bond distances ranging from 2.25–2.91 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.27 Å) and three longer (2.54 Å) Na–F bond lengths. In the third Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are six shorter (2.47 Å) and three longer (2.55 Å) Na–F bond lengths. There are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.30–2.39 Å. In the second Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.30–2.39 Å. In the third Y3+ site, Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are six shorter (2.32 Å) and three longer (2.40 Å) Y–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and three Y3+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three Na1+ and two Y3+ atoms. In the third F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra. In the fourth F1- site, F1- is bonded to two Na1+ and two Y3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Y2 tetrahedra.
DOI: 10.17188/1206894
title: Materials Data on KSnAs by Materials Project

description: KSnAs is trigonal omega-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two KSnAs sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. All K–As bond lengths are 3.33 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.76 Å. As3- is bonded to three equivalent K1+ and three equivalent Sn2+ atoms to form edge-sharing AsK3Sn3 octahedra.
DOI: 10.17188/1206895
title: Materials Data on Na3UO4 by Materials Project

description: Na3UO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with four equivalent UO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–15°. There are two shorter (2.36 Å) and four longer (2.47 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent UO6 octahedra, edges with two equivalent UO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are four shorter (2.63 Å) and two longer (2.67 Å) Na–O bond lengths. U5+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with two equivalent UO6 octahedra, and edges with ten NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are two shorter (2.03 Å) and four longer (2.28 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one U5+ atom to form a mixture of distorted edge and corner-sharing ONa5U octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four Na1+ and two equivalent U5+ atoms to form ONa4U2 octahedra that share corners with six equivalent ONa4U2 octahedra and edges with twelve ONa5U octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1206896
title: Materials Data on KNO2 by Materials Project

description: KNO2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.82–2.91 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. O2- is bonded in a 4-coordinate geometry to three equivalent K1+ and one N3+ atom.
DOI: 10.17188/1206897
title: Materials Data on KSnSb by Materials Project

description: KSnSb is Molybdenite-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two KSnSb sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 3-coordinate geometry to three equivalent Sb3- atoms. All K–Sb bond lengths are 3.59 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sb3- atoms. All Sn–Sb bond lengths are 2.94 Å. Sb3- is bonded to three equivalent K1+ and three equivalent Sn2+ atoms to form distorted edge-sharing SbK3Sn3 octahedra.
DOI: 10.17188/1206898
title: Materials Data on Ca3(PO4)2 by Materials Project

description: Ca3(PO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Ca–O bond lengths are 2.46 Å. In the second Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Ca–O bond distances ranging from 2.24–2.72 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ca2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ca2+ and one P5+ atom.
DOI: 10.17188/1206899
title: Materials Data on Na2Ti3O7 by Materials Project

description: Na2Ti3O7 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.49–2.76 Å. In the second Na1+ site, Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.00 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–26°. There are a spread of Ti–O bond distances ranging from 1.79–2.20 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–28°. There are a spread of Ti–O bond distances ranging from 1.74–2.28 Å. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ti–O bond distances ranging from 1.81–2.21 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ti4+ atoms to form distorted OTi4 trigonal pyramids that share corners with three equivalent ONa3Ti2 trigonal bipyramids, corners with two equivalent OTi4 trigonal pyramids, and edges with two equivalent OTi4 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and three Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and four Ti4+ atoms. In the fourth O2- site, O2- is bonded to three equivalent Na1+ and two Ti4+ atoms to form distorted ONa3Ti2 trigonal bipyramids that share corners with two equivalent ONa3Ti2 trigonal bipyramids, corners with three equivalent OTi4 trigonal pyramids, and edges with two equivalent ONa3Ti2 trigonal bipyramids. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Ti4+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+ and two Ti4+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two Ti4+ atoms.
DOI: 10.17188/1206900
title: Materials Data on Nd(FeSi)2 by Materials Project

description: NdFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.16 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.28 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.73 Å.
DOI: 10.17188/1206903
title: Materials Data on Yb3Si5 by Materials Project

description: Yb3Si5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Yb–Si bond distances ranging from 3.10–3.20 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. All Si–Si bond lengths are 2.36 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six equivalent Yb and two equivalent Si atoms.
DOI: 10.17188/1206904
title: Materials Data on MgGeP2 by Materials Project

description: MgGeP2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent P3- atoms to form MgP4 tetrahedra that share corners with four equivalent MgP4 tetrahedra and corners with eight equivalent GeP4 tetrahedra. All Mg–P bond lengths are 2.55 Å. Ge4+ is bonded to four equivalent P3- atoms to form GeP4 tetrahedra that share corners with four equivalent GeP4 tetrahedra and corners with eight equivalent MgP4 tetrahedra. All Ge–P bond lengths are 2.36 Å. P3- is bonded to two equivalent Mg2+ and two equivalent Ge4+ atoms to form corner-sharing PMg2Ge2 tetrahedra.
DOI: 10.17188/1206905
title: Materials Data on NbSbO4 by Materials Project

description: SbNbO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 31–46°. There are a spread of Nb–O bond distances ranging from 1.86–2.18 Å. Sb3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Nb5+ and two equivalent Sb3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Sb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one Sb3+ atom.
DOI: 10.17188/1206906
title: Materials Data on Nd2Sn2O7 by Materials Project

description: Nd2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.38 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.27 Å) and two longer (2.32 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing ONd2Sn2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sn4+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra.