cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1731995
title: Materials Data on NaCaBe2B2O6F by Materials Project

description: NaCaBe2B2O6F crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Na–O bond distances ranging from 2.49–2.63 Å. There are one shorter (2.43 Å) and one longer (2.56 Å) Na–F bond lengths. Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with six BeO3F tetrahedra. There are a spread of Ca–O bond distances ranging from 2.37–2.43 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to three O2- and one F1- atom to form BeO3F tetrahedra that share corners with three equivalent CaO6 octahedra and a cornercorner with one BeO3F tetrahedra. The corner-sharing octahedra tilt angles range from 62–74°. There are a spread of Be–O bond distances ranging from 1.60–1.62 Å. The Be–F bond length is 1.68 Å. In the second Be2+ site, Be2+ is bonded to three O2- and one F1- atom to form BeO3F tetrahedra that share corners with three equivalent CaO6 octahedra and a cornercorner with one BeO3F tetrahedra. The corner-sharing octahedra tilt angles range from 63–77°. There are a spread of Be–O bond distances ranging from 1.60–1.63 Å. The Be–F bond length is 1.66 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, one Be2+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Be2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ca2+, one Be2+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one Ca2+, one Be2+, and one B3+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and two Be2+ atoms.
DOI: 10.17188/1731996
title: Materials Data on HfAgB by Materials Project

description: HfAgB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent B atoms. All Hf–Ag bond lengths are 2.62 Å. All Hf–B bond lengths are 2.62 Å. Ag is bonded to four equivalent Hf atoms to form AgHf4 tetrahedra that share corners with four equivalent BHf4 tetrahedra, corners with twelve equivalent AgHf4 tetrahedra, and edges with six equivalent BHf4 tetrahedra. B is bonded to four equivalent Hf atoms to form BHf4 tetrahedra that share corners with four equivalent AgHf4 tetrahedra, corners with twelve equivalent BHf4 tetrahedra, and edges with six equivalent AgHf4 tetrahedra.
DOI: 10.17188/1731997
title: Materials Data on CeTl(MoO4)2 by Materials Project

description: CeTl(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.37–2.64 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.82–2.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one Mo6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and one Mo6+ atom.
DOI: 10.17188/1731999
title: Materials Data on Li12VFe3P4(CO7)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: 10.17188/1732000
title: Materials Data on AlSi3O8 by Materials Project

description: AlSi3O8 is low (alpha) Cristobalite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.76 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one AlO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.63 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom.
DOI: 10.17188/1732001
title: Materials Data on Cs2ReF6 by Materials Project

description: Cs2ReF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent F1- atoms. There are a spread of Cs–F bond distances ranging from 3.14–3.32 Å. Re4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Re–F bond lengths are 1.99 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Re4+ atom.
DOI: 10.17188/1732002
title: Materials Data on PrRe2 by Materials Project

description: PrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.21 Å) and nine longer (3.25 Å) Pr–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pr and six equivalent Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. All Re–Re bond lengths are 2.78 Å. In the second Re site, Re is bonded to six equivalent Pr and six Re atoms to form a mixture of corner, edge, and face-sharing RePr6Re6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.83 Å) Re–Re bond lengths.
DOI: 10.17188/1732003
title: Materials Data on Tb2Cl3 by Materials Project

description: Tb2Cl3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to five Cl atoms. There are a spread of Tb–Cl bond distances ranging from 2.77–3.37 Å. In the second Tb site, Tb is bonded in a pentagonal planar geometry to five Cl atoms. There are a spread of Tb–Cl bond distances ranging from 2.73–2.85 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal non-coplanar geometry to three equivalent Tb atoms. In the second Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to four Tb atoms. In the third Cl site, Cl is bonded in a distorted T-shaped geometry to three Tb atoms.
DOI: 10.17188/1732004
title: Materials Data on CeAl3Pd by Materials Project

description: CePdAl3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Al atoms. All Ce–Pd bond lengths are 3.46 Å. There are eight shorter (3.22 Å) and four longer (3.46 Å) Ce–Al bond lengths. Pd is bonded to four equivalent Ce and eight Al atoms to form distorted PdCe4Al8 tetrahedra that share corners with four equivalent AlCe4Al4Pd4 cuboctahedra, corners with twelve equivalent PdCe4Al8 tetrahedra, edges with two equivalent AlCe4Al4Pd4 cuboctahedra, faces with four equivalent AlCe4Al4Pd4 cuboctahedra, and faces with four equivalent PdCe4Al8 tetrahedra. There are four shorter (2.57 Å) and four longer (2.96 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Pd, and three Al atoms. There are one shorter (2.54 Å) and two longer (2.57 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Ce, four equivalent Pd, and four equivalent Al atoms to form AlCe4Al4Pd4 cuboctahedra that share corners with twelve equivalent AlCe4Al4Pd4 cuboctahedra, corners with four equivalent PdCe4Al8 tetrahedra, edges with two equivalent PdCe4Al8 tetrahedra, faces with four equivalent AlCe4Al4Pd4 cuboctahedra, and faces with four equivalent PdCe4Al8 tetrahedra.
DOI: 10.17188/1732007
title: Materials Data on Nd2GaCo2 by Materials Project

description: Nd2Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent Ga atoms. There are four shorter (2.97 Å) and two longer (3.02 Å) Nd–Co bond lengths. All Nd–Ga bond lengths are 3.29 Å. Co is bonded in a 9-coordinate geometry to six equivalent Nd, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.35 Å. Both Co–Ga bond lengths are 2.59 Å. Ga is bonded to eight equivalent Nd and four equivalent Co atoms to form a mixture of face and edge-sharing GaNd8Co4 cuboctahedra.
DOI: 10.17188/1732008
title: Materials Data on LuZn12 by Materials Project

description: LuZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.06–3.36 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form a mixture of face, edge, and corner-sharing ZnLu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.58–2.71 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Lu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.94 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Lu and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.
DOI: 10.17188/1732009
title: Materials Data on TbDyIr2 by Materials Project

description: DyTbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Dy–Ir bond lengths are 2.98 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Tb–Ir bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Tb atoms.
DOI: 10.17188/1732010
title: Materials Data on TiNbN2 by Materials Project

description: TiNbN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti4+ is bonded to six N3- atoms to form TiN6 octahedra that share corners with six equivalent TiN6 octahedra, edges with four equivalent TiN6 octahedra, and edges with eight equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.19 Å) Ti–N bond lengths. Nb2+ is bonded to six N3- atoms to form NbN6 octahedra that share corners with six equivalent NbN6 octahedra, edges with four equivalent NbN6 octahedra, and edges with eight equivalent TiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.18 Å) and four longer (2.19 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Ti4+ and four equivalent Nb2+ atoms to form a mixture of edge and corner-sharing NTi2Nb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Ti4+ and two equivalent Nb2+ atoms to form NTi4Nb2 octahedra that share corners with six equivalent NTi4Nb2 octahedra and edges with twelve NTi2Nb4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.6073/pasta/ca8a31102bcad93f17c34a62c879522e
title: Jornada Basin LTER: Wireless meteorological station at NPP C-CALI site: 5-minute summary wind and air temperature data: 2013 - ongoing

description: 5-minute summary data at NPP C-CALI met station. Average air temperature, wind speed and wind direction are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP C-CALI site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature at approximate 2.5m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.17188/1732011
title: Materials Data on TiO2 by Materials Project

description: TiO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ti–O bond lengths are 2.00 Å. O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms.
DOI: 10.17188/1732012
title: Materials Data on Eu2CoPtO6 by Materials Project

description: Eu2CoPtO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.77 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent PtO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Co–O bond distances ranging from 2.03–2.11 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are two shorter (2.03 Å) and four longer (2.04 Å) Pt–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Eu3+, one Co2+, and one Pt4+ atom to form distorted corner-sharing OEu2CoPt tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Co2+, and one Pt4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Eu3+, one Co2+, and one Pt4+ atom.
DOI: 10.17188/1732013
title: Materials Data on BaMnO3 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: 10.17188/1732014
title: Materials Data on Na2CoO3 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: 10.17188/1732015
title: Materials Data on SmMgSe3 by Materials Project

description: MgSmSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to four Se+1.67- atoms. There are two shorter (2.59 Å) and two longer (2.64 Å) Mg–Se bond lengths. Sm3+ is bonded to six Se+1.67- atoms to form a mixture of distorted edge and face-sharing SmSe6 pentagonal pyramids. There are a spread of Sm–Se bond distances ranging from 2.85–3.00 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Sm3+ atoms. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Sm3+ atoms to form distorted edge-sharing SeSm2Mg2 trigonal pyramids.
DOI: 10.17188/1732016
title: Materials Data on Li2(BH)11 by Materials Project

description: (Li(BH)3)2(BH)5 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of ten boranediylradical molecules and two Li(BH)3 ribbons oriented in the (1, 0, 0) direction. In each Li(BH)3 ribbon, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four H+0.64+ atoms. There is two shorter (1.88 Å) and two longer (2.11 Å) Li–H bond length. In the second Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four H+0.64+ atoms. There is two shorter (1.88 Å) and two longer (2.11 Å) Li–H bond length. There are three inequivalent B+0.82- sites. In the first B+0.82- site, B+0.82- is bonded in a distorted single-bond geometry to one H+0.64+ atom. The B–H bond length is 1.21 Å. In the second B+0.82- site, B+0.82- is bonded in a distorted single-bond geometry to one H+0.64+ atom. The B–H bond length is 1.21 Å. In the third B+0.82- site, B+0.82- is bonded in a distorted single-bond geometry to one H+0.64+ atom. The B–H bond length is 1.21 Å. There are three inequivalent H+0.64+ sites. In the first H+0.64+ site, H+0.64+ is bonded in a T-shaped geometry to two Li1+ and one B+0.82- atom. In the second H+0.64+ site, H+0.64+ is bonded in a water-like geometry to one Li1+ and one B+0.82- atom. In the third H+0.64+ site, H+0.64+ is bonded in a water-like geometry to one Li1+ and one B+0.82- atom.
DOI: 10.17188/1732017
title: Materials Data on LiV2O3F 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: 10.17188/1732018
title: Materials Data on LiFe4(BO3)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: 10.17188/1732019
title: Materials Data on NdAs2Au by Materials Project

description: NdAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Nd–As bond distances ranging from 3.03–3.26 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are three shorter (2.81 Å) and one longer (2.83 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.64 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.
DOI: 10.17188/1732020
title: Materials Data on Ba2AlBi3O8 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: 10.17188/1732021
title: Materials Data on Nd3O2F5 by Materials Project

description: Nd3O2F5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both Nd–O bond lengths are 2.42 Å. There are a spread of Nd–F bond distances ranging from 2.43–2.48 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to two equivalent O2- and six F1- atoms. Both Nd–O bond lengths are 2.33 Å. There are a spread of Nd–F bond distances ranging from 2.48–2.57 Å. In the third Nd3+ site, Nd3+ is bonded to three O2- and three F1- atoms to form a mixture of edge and corner-sharing NdO3F3 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are one shorter (2.24 Å) and two longer (2.27 Å) Nd–O bond lengths. There are two shorter (2.53 Å) and one longer (2.59 Å) Nd–F bond lengths. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The Nd–O bond length is 2.21 Å. There are a spread of Nd–F bond distances ranging from 2.33–2.54 Å. In the fifth Nd3+ site, Nd3+ is bonded to three O2- and three F1- atoms to form a mixture of distorted edge and corner-sharing NdO3F3 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are two shorter (2.29 Å) and one longer (2.30 Å) Nd–O bond lengths. There are one shorter (2.45 Å) and two longer (2.48 Å) Nd–F bond lengths. In the sixth Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Nd–O bond length is 2.16 Å. There are a spread of Nd–F bond distances ranging from 2.31–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Nd3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nd3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Nd3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Nd3+ atoms. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd3+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Nd3+ atoms. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to three Nd3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd3+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Nd3+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd3+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Nd3+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Nd3+ atoms. In the tenth F1- site, F1- is bonded in a 3-coordinate geometry to three Nd3+ atoms.