cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1704374
title: Materials Data on K2SnF6 by Materials Project

description: K2SnF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with four equivalent SnF6 octahedra. All K–F bond lengths are 3.05 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share faces with eight equivalent KF12 cuboctahedra. All Sn–F bond lengths are 2.00 Å. F1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Sn4+ atom.
DOI: 10.17188/1704375
title: Materials Data on ZrMoW by Materials Project

description: ZrWMo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to six equivalent W and six equivalent Mo atoms. There are four shorter (3.17 Å) and two longer (3.18 Å) Zr–W bond lengths. There are two shorter (3.17 Å) and four longer (3.18 Å) Zr–Mo bond lengths. W is bonded to six equivalent Zr, two equivalent W, and four equivalent Mo atoms to form WZr6Mo4W2 cuboctahedra that share corners with eight equivalent MoZr6Mo2W4 cuboctahedra, corners with ten equivalent WZr6Mo4W2 cuboctahedra, edges with six equivalent WZr6Mo4W2 cuboctahedra, faces with six equivalent WZr6Mo4W2 cuboctahedra, and faces with twelve equivalent MoZr6Mo2W4 cuboctahedra. Both W–W bond lengths are 2.72 Å. All W–Mo bond lengths are 2.71 Å. Mo is bonded to six equivalent Zr, four equivalent W, and two equivalent Mo atoms to form MoZr6Mo2W4 cuboctahedra that share corners with eight equivalent WZr6Mo4W2 cuboctahedra, corners with ten equivalent MoZr6Mo2W4 cuboctahedra, edges with six equivalent MoZr6Mo2W4 cuboctahedra, faces with six equivalent MoZr6Mo2W4 cuboctahedra, and faces with twelve equivalent WZr6Mo4W2 cuboctahedra. Both Mo–Mo bond lengths are 2.70 Å.
DOI: 10.17188/1704377
title: Materials Data on CsAsO3 by Materials Project

description: CsAsO3 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one CsAsO3 sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.73 Å. As5+ is bonded to six equivalent O2- atoms to form edge-sharing AsO6 octahedra. All As–O bond lengths are 1.88 Å. O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent As5+ atoms.
DOI: 10.17188/1704382
title: Materials Data on CrBiO3 by Materials Project

description: BiCrO3 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules; two Bi ribbons oriented in the (0, 0, 1) direction; and two CrO ribbons oriented in the (0, 0, 1) direction. In each Bi ribbon, Bi3+ is bonded in a linear geometry to two equivalent Bi3+ atoms. Both Bi–Bi bond lengths are 2.91 Å. In each CrO ribbon, Cr3+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both Cr–O bond lengths are 1.83 Å. O2- is bonded in a water-like geometry to two equivalent Cr3+ atoms.
DOI: 10.17188/1704383
title: Materials Data on Ba4Nb2O9 by Materials Project

description: Ba4Nb2O9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.74 Å) and six longer (3.09 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded to six O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with three equivalent BaO6 octahedra, corners with three equivalent NbO6 octahedra, edges with three equivalent NbO6 octahedra, and a faceface with one BaO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 17–75°. There are three shorter (2.67 Å) and three longer (2.79 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded to six equivalent O2- atoms to form BaO6 octahedra that share corners with six equivalent NbO6 octahedra and corners with six equivalent BaO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 29°. All Ba–O bond lengths are 2.69 Å. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with three equivalent BaO6 octahedra, corners with three equivalent BaO6 pentagonal pyramids, edges with three equivalent BaO6 pentagonal pyramids, and a faceface with one NbO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are three shorter (1.92 Å) and three longer (2.20 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ba2+ and two equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing OBa3Nb2 square pyramids. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+ and one Nb5+ atom.
DOI: 10.17188/1704384
title: Materials Data on Li8Mn15NiO32 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: 10.17188/1704385
title: Materials Data on Fe(PO3)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: 10.17188/1704386
title: Materials Data on V3O5F 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: 10.17188/1704387
title: Materials Data on Y5Mg by Materials Project

description: MgY5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Y atoms to form MgY12 cuboctahedra that share corners with eighteen equivalent YY9Mg3 cuboctahedra, edges with six equivalent MgY12 cuboctahedra, edges with twelve equivalent YY10Mg2 cuboctahedra, faces with two equivalent MgY12 cuboctahedra, and faces with eighteen YY10Mg2 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.58 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mg and ten Y atoms to form YY10Mg2 cuboctahedra that share corners with eighteen equivalent YY10Mg2 cuboctahedra, edges with four equivalent MgY12 cuboctahedra, edges with fourteen YY10Mg2 cuboctahedra, faces with four equivalent MgY12 cuboctahedra, and faces with sixteen YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.48–3.64 Å. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form YY9Mg3 cuboctahedra that share corners with nine equivalent MgY12 cuboctahedra, corners with nine equivalent YY9Mg3 cuboctahedra, edges with eighteen YY10Mg2 cuboctahedra, faces with three equivalent MgY12 cuboctahedra, and faces with seventeen YY10Mg2 cuboctahedra. All Y–Y bond lengths are 3.58 Å.
DOI: 10.17188/1704388
title: Materials Data on CaSmAlO4 by Materials Project

description: CaSmAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.28–2.63 Å. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.63 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Al–O bond distances ranging from 1.85–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, four equivalent Sm3+, and one Al3+ atom to form distorted OCaSm4Al octahedra that share corners with seventeen OCa2Sm2Al2 octahedra, edges with eight OCaSm4Al octahedra, and faces with four equivalent OCa2Sm2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded to four equivalent Ca2+, one Sm3+, and one Al3+ atom to form distorted OCa4SmAl octahedra that share corners with seventeen OCa2Sm2Al2 octahedra, edges with eight OCaSm4Al octahedra, and faces with four equivalent OCa2Sm2Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Sm3+, and two equivalent Al3+ atoms to form a mixture of distorted corner, edge, and face-sharing OCa2Sm2Al2 octahedra. The corner-sharing octahedra tilt angles range from 8–54°.
DOI: 10.17188/1704389
title: Materials Data on AlGaBr4 by Materials Project

description: AlGaBr4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is zero-dimensional and consists of four aluminium molecules and four GaBr4 clusters. In each GaBr4 cluster, Ga is bonded in a tetrahedral geometry to four Br atoms. There are two shorter (2.37 Å) and two longer (2.39 Å) Ga–Br bond lengths. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Ga atom. In the second Br site, Br is bonded in a single-bond geometry to one Ga atom.
DOI: 10.17188/1704390
title: Materials Data on SmSb2Au by Materials Project

description: SmAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.22 Å) and four longer (3.35 Å) Sm–Sb bond lengths. Au3+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing AuSb4 tetrahedra. All Au–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.
DOI: 10.17188/1704392
title: Materials Data on K2LuF5 by Materials Project

description: K2LuF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.66–2.89 Å. Lu3+ is bonded to seven F1- atoms to form distorted edge-sharing LuF7 pentagonal bipyramids. There are a spread of Lu–F bond distances ranging from 2.15–2.26 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Lu3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Lu3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Lu3+ atom. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Lu3+ atoms.
DOI: 10.17188/1704393
title: Materials Data on CaLaAl3O7 by Materials Project

description: LaCaAl3O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–3.01 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.91 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.79 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one La3+, and two Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ca2+, one La3+, and one Al3+ atom to form distorted corner-sharing OCa2LaAl tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one La3+, and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one La3+, and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+ and two Al3+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two Al3+ atoms.
DOI: 10.17188/1704395
title: Materials Data on LiMn(P2O7)2 by Materials Project

description: LiMn(P2O7)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two LiMn(P2O7)2 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four PO4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.99 Å) Li–O bond length. Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.90–1.97 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 a cornercorner with one MnO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.51–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra, a cornercorner with one LiO4 tetrahedra, and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.
DOI: 10.17188/1704396
title: Materials Data on Hf2AlMo by Materials Project

description: Hf2MoAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2MoAl ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Mo and one Al atom. The Hf–Mo bond length is 2.34 Å. The Hf–Al bond length is 2.76 Å. Mo is bonded in a linear geometry to two equivalent Hf atoms. Al is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1704397
title: Materials Data on Co2O3F 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: 10.17188/1704398
title: Materials Data on EuZnGe by Materials Project

description: EuZnGe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of face and edge-sharing EuZn6Ge6 cuboctahedra. There are two shorter (3.32 Å) and four longer (3.33 Å) Eu–Zn bond lengths. All Eu–Ge bond lengths are 3.32 Å. Zn is bonded in a 2-coordinate geometry to six equivalent Eu, one Zn, and two equivalent Ge atoms. The Zn–Zn bond length is 2.53 Å. Both Zn–Ge bond lengths are 2.51 Å. Ge is bonded in a distorted bent 120 degrees geometry to six equivalent Eu, two equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1704399
title: Materials Data on LiCrPO4 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: 10.17188/1704400
title: Materials Data on Ba7MnFe6F34 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: 10.17188/1704401
title: Materials Data on YZrS2 by Materials Project

description: YZrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded to six equivalent S atoms to form YS6 octahedra that share corners with six equivalent ZrS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent ZrS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Y–S bond lengths are 2.73 Å. Zr is bonded to six equivalent S atoms to form ZrS6 octahedra that share corners with six equivalent YS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent ZrS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zr–S bond lengths are 2.66 Å. S is bonded to three equivalent Y and three equivalent Zr atoms to form a mixture of edge and corner-sharing SY3Zr3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1704402
title: Materials Data on EuPd2 by Materials Project

description: EuPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All Eu–Pd bond lengths are 3.04 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.80 Å.
DOI: 10.17188/1704403
title: Materials Data on K3S3NO11 by Materials Project

description: (K3S3O11)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one K3S3O11 framework. In the K3S3O11 framework, there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.05 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.44 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.87–3.11 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.46 Å. In the second S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.44 Å) and two longer (1.47 Å) S–O bond length. In the third S6+ site, S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three K1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ atoms.
DOI: 10.17188/1704404
title: Materials Data on EuMgPb by Materials Project

description: MgEuPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded to four equivalent Pb atoms to form a mixture of distorted edge and corner-sharing MgPb4 tetrahedra. There are a spread of Mg–Pb bond distances ranging from 3.01–3.14 Å. Eu is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Eu–Pb bond distances ranging from 3.38–3.51 Å. Pb is bonded in a 9-coordinate geometry to four equivalent Mg and five equivalent Eu atoms.
DOI: 10.17188/1704405
title: Materials Data on H3CN4O by Materials Project

description: CN3H6CN5O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 5-nitro-2h-tetrazole molecules and four guanidinium molecules.
DOI: 10.17188/1704406
title: Materials Data on NaEu(MoO4)2 by Materials Project

description: NaEu(MoO4)2 is Zircon-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.49–2.59 Å. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.81 Å) Mo–O bond length. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. All Mo–O bond lengths are 1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Eu3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Eu3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Eu3+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Eu3+, and one Mo6+ atom.