cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746329
title: Materials Data on MgVCrO4 by Materials Project

description: MgVCrO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 58–59°. There are two shorter (1.99 Å) and two longer (2.02 Å) Mg–O bond lengths. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent CrO6 octahedra. There are two shorter (2.04 Å) and four longer (2.06 Å) V–O bond lengths. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent MgO4 tetrahedra, edges with two equivalent CrO6 octahedra, and edges with four equivalent VO6 octahedra. There are two shorter (2.03 Å) and four longer (2.05 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, one V3+, and two equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OMgVCr2 trigonal pyramids. In the second O2- site, O2- is bonded to one Mg2+, two equivalent V3+, and one Cr3+ atom to form a mixture of distorted edge and corner-sharing OMgV2Cr trigonal pyramids.
DOI: 10.17188/1746331
title: Materials Data on Yb3Pr by Materials Project

description: Yb3Pr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Pr atoms. All Yb–Yb bond lengths are 3.66 Å. All Yb–Pr bond lengths are 3.66 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb and six equivalent Pr atoms. All Yb–Pr bond lengths are 4.23 Å. Pr is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms.
DOI: 10.17188/1746332
title: Materials Data on AsC6NF4 by Materials Project

description: C6AsNF4 is beta Sn-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four C6AsNF4 clusters. there are six inequivalent C+1.67+ sites. In the first C+1.67+ site, C+1.67+ is bonded in a distorted trigonal non-coplanar geometry to one As3- and three F1- atoms. The C–As bond length is 2.06 Å. There is one shorter (1.35 Å) and two longer (1.36 Å) C–F bond length. In the second C+1.67+ site, C+1.67+ is bonded in a distorted trigonal planar geometry to one As3-, one N3-, and one F1- atom. The C–As bond length is 1.86 Å. The C–N bond length is 1.42 Å. The C–F bond length is 1.32 Å. In the third C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one C+1.67+ and one N3- atom. The C–C bond length is 1.28 Å. The C–N bond length is 1.34 Å. In the fourth C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one C+1.67+ atom. In the fifth C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one C+1.67+ and one N3- atom. The C–C bond length is 1.27 Å. The C–N bond length is 1.34 Å. In the sixth C+1.67+ site, C+1.67+ is bonded in a single-bond geometry to one C+1.67+ atom. As3- is bonded in an L-shaped geometry to two C+1.67+ atoms. N3- is bonded in a trigonal planar geometry to three C+1.67+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+1.67+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+1.67+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C+1.67+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C+1.67+ atom.
DOI: 10.17188/1746333
title: Materials Data on Ba2Cl2F by Materials Project

description: Ba2Cl2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ba2Cl2F cluster. Ba is bonded in a linear geometry to one Cl and one F atom. The Ba–Cl bond length is 2.72 Å. The Ba–F bond length is 2.50 Å. Cl is bonded in a single-bond geometry to one Ba atom. F is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1746334
title: Materials Data on Rb3CoF6 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: 10.17188/1746335
title: Materials Data on ErSiRu2C by Materials Project

description: ErRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.11 Å) Er–Si bond lengths. All Er–C bond lengths are 2.65 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.46 Å) and one longer (2.48 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Er3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.
DOI: 10.17188/1746338
title: Materials Data on Pb3N2 by Materials Project

description: Pb3N2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pb3N2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. There are one shorter (2.35 Å) and two longer (2.43 Å) Pb–N bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. There are two shorter (2.33 Å) and one longer (2.35 Å) Pb–N bond lengths. In the third Pb2+ site, Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are one shorter (2.24 Å) and two longer (2.52 Å) Pb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Pb2+ atoms to form distorted NPb4 tetrahedra that share corners with two equivalent NPb5 square pyramids, corners with two equivalent NPb4 tetrahedra, and edges with two equivalent NPb4 tetrahedra. In the second N3- site, N3- is bonded to five Pb2+ atoms to form NPb5 square pyramids that share corners with two equivalent NPb4 tetrahedra and edges with four equivalent NPb5 square pyramids.
DOI: 10.17188/1746339
title: Materials Data on Cs2KTmCl6 by Materials Project

description: Cs2KTmCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent KCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Cs–Cl bond lengths are 3.99 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.03 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.61 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Tm3+ atom.
DOI: 10.17188/1746340
title: Materials Data on MnZn3 by Materials Project

description: MnZn3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Zn atoms to form MnMn6Zn6 cuboctahedra that share corners with six equivalent MnMn6Zn6 cuboctahedra, corners with twelve equivalent ZnZn12 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve equivalent ZnMn3Zn9 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Mn–Mn bond lengths are 2.72 Å. All Mn–Zn bond lengths are 2.64 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with six equivalent ZnZn12 cuboctahedra, corners with twelve equivalent MnMn6Zn6 cuboctahedra, edges with eighteen ZnZn12 cuboctahedra, faces with two equivalent MnMn6Zn6 cuboctahedra, and faces with eighteen ZnZn12 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.76 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to three equivalent Mn and nine Zn atoms to form ZnMn3Zn9 cuboctahedra that share corners with eighteen equivalent ZnMn3Zn9 cuboctahedra, edges with six equivalent MnMn6Zn6 cuboctahedra, edges with twelve ZnZn12 cuboctahedra, faces with six equivalent MnMn6Zn6 cuboctahedra, and faces with fourteen ZnZn12 cuboctahedra. All Zn–Zn bond lengths are 2.72 Å.
DOI: 10.17188/1746341
title: Materials Data on Pr(ClO2)3 by Materials Project

description: Pr(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Pr(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Pr is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Pr–O bond distances ranging from 2.31–2.65 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.54 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.65 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.30 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.
DOI: 10.17188/1746342
title: Materials Data on K2TlInBr6 by Materials Project

description: (K)2TlInBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlInBr6 framework. In the TlInBr6 framework, Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.13 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.71 Å. Br1- is bonded in a linear geometry to one Tl1+ and one In3+ atom.
DOI: 10.17188/1746343
title: Materials Data on Li2Co(CO3)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: 10.17188/1746344
title: Materials Data on Dy4Te3S4 by Materials Project

description: Dy4Te3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded to three Te+1.33- and four S2- atoms to form distorted DyTe3S4 pentagonal bipyramids that share corners with three equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 tetrahedra, corners with four equivalent SDy4Te2 trigonal pyramids, edges with six equivalent DyTe3S4 pentagonal bipyramids, and faces with two equivalent DyTe3S4 pentagonal bipyramids. There are a spread of Dy–Te bond distances ranging from 3.11–3.34 Å. There are a spread of Dy–S bond distances ranging from 2.68–2.76 Å. There are two inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 10-coordinate geometry to four equivalent Dy3+, two Te+1.33-, and four S2- atoms. There are one shorter (2.83 Å) and one longer (3.88 Å) Te–Te bond lengths. There are two shorter (3.81 Å) and two longer (3.86 Å) Te–S bond lengths. In the second Te+1.33- site, Te+1.33- is bonded in a square co-planar geometry to four equivalent Dy3+ and two equivalent Te+1.33- atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent Te+1.33- atoms to form distorted SDy4Te2 trigonal pyramids that share corners with eight equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 tetrahedra, edges with four equivalent SDy4Te2 tetrahedra, and edges with three equivalent SDy4Te2 trigonal pyramids. In the second S2- site, S2- is bonded to four equivalent Dy3+ and two equivalent Te+1.33- atoms to form distorted SDy4Te2 tetrahedra that share corners with eight equivalent DyTe3S4 pentagonal bipyramids, corners with four equivalent SDy4Te2 trigonal pyramids, edges with three equivalent SDy4Te2 tetrahedra, and edges with four equivalent SDy4Te2 trigonal pyramids.
DOI: 10.17188/1746346
title: Materials Data on HoSbIr by Materials Project

description: HoIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to five equivalent Ir and six equivalent Sb atoms. There are a spread of Ho–Ir bond distances ranging from 2.97–3.20 Å. There are a spread of Ho–Sb bond distances ranging from 3.17–3.38 Å. Ir is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.67–2.76 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ir atoms.
DOI: 10.17188/1746347
title: Materials Data on NbPO5 by Materials Project

description: NbOPO4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.78–2.49 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.
DOI: 10.17188/1746348
title: Materials Data on UCoCuGe2 by Materials Project

description: UCoCuGe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Co, four equivalent Cu, and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Cu bond lengths are 3.18 Å. All U–Ge bond lengths are 3.10 Å. Co is bonded to four equivalent U and four equivalent Ge atoms to form distorted CoU4Ge4 tetrahedra that share corners with four equivalent CuU4Ge4 tetrahedra, corners with eight equivalent CoU4Ge4 tetrahedra, edges with two equivalent CuU4Ge4 tetrahedra, edges with four equivalent CoU4Ge4 tetrahedra, and faces with four equivalent CuU4Ge4 tetrahedra. All Co–Ge bond lengths are 2.37 Å. Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share corners with four equivalent CoU4Ge4 tetrahedra, corners with eight equivalent CuU4Ge4 tetrahedra, edges with two equivalent CoU4Ge4 tetrahedra, edges with four equivalent CuU4Ge4 tetrahedra, and faces with four equivalent CoU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.37 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Co, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.43 Å.
DOI: 10.6084/m9.figshare.13350623
title: PS O (Chapter II, Evans Dissertation)

description: This is drone product set O from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Bellamy beaver dam area in Dover, NH, USA. The imagery was collected on November 22, 2019 using a DJI Phantom 3 Professional drone. Note that the elevation values are only reliable for examining relative topography across the site. The built-in drone GPS was used for georeferencing during SfM processing, and the EXIF data provided inaccurate altitude measurements. The XY locations are more reliable based on checks against alignment with base maps in ArcGIS. The drone PS' relative accuracy was deemed acceptable for the purposes in Chapter II. Automated drone flight paths were used to collect nadir and angled aerial images with sufficient image overlap for SfM processing in Agisoft PhotoScan Professional. The PhotoScan-generated report includes additional details on the SfM processing workflow and on the drone products.<br>Please see Alexandra's dissertation (University of New Hampshire) for more information on the drone products and project.<br>These materials were made using resources from an NSF EPSCoR funded project “RII Track-2 FEC: Strengthening the scientific basis for decision-making about dams: Multi-scale, coupled-systems research on ecological, social, and economic trade-offs” (a.k.a. "Future of Dams"). Support for this project is provided by the National Science Foundation’s Research Infrastructure Improvement NSF #IIA-1539071. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
DOI: 10.17188/1746349
title: Materials Data on NO6 by Materials Project

description: (NO3)2(O2)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four nitric acid molecules and six oxygen molecules.
DOI: 10.6084/m9.figshare.13350623.v1
title: PS O (Chapter II, Evans Dissertation)

description: This is drone product set O from Chapter II of Alexandra's dissertation.<br>The orthomosaic and DSM show the Bellamy beaver dam area in Dover, NH, USA. The imagery was collected on November 22, 2019 using a DJI Phantom 3 Professional drone. Note that the elevation values are only reliable for examining relative topography across the site. The built-in drone GPS was used for georeferencing during SfM processing, and the EXIF data provided inaccurate altitude measurements. The XY locations are more reliable based on checks against alignment with base maps in ArcGIS. The drone PS' relative accuracy was deemed acceptable for the purposes in Chapter II. Automated drone flight paths were used to collect nadir and angled aerial images with sufficient image overlap for SfM processing in Agisoft PhotoScan Professional. The PhotoScan-generated report includes additional details on the SfM processing workflow and on the drone products.<br>Please see Alexandra's dissertation (University of New Hampshire) for more information on the drone products and project.<br>These materials were made using resources from an NSF EPSCoR funded project “RII Track-2 FEC: Strengthening the scientific basis for decision-making about dams: Multi-scale, coupled-systems research on ecological, social, and economic trade-offs” (a.k.a. "Future of Dams"). Support for this project is provided by the National Science Foundation’s Research Infrastructure Improvement NSF #IIA-1539071. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.
DOI: 10.17188/1746350
title: Materials Data on MnSiO3 by Materials Project

description: MnSiO3 is Esseneite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.16–2.31 Å. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.08–2.78 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MnO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–61°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MnO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two Mn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Mn2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Mn2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+ and two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mn2+ and one Si4+ atom.
DOI: 10.17188/1746351
title: Materials Data on V6O11F 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: 10.17188/1746352
title: Materials Data on CaTlAu2 by Materials Project

description: CaAu2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaAu2Tl ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Au atoms. Both Ca–Au bond lengths are 2.80 Å. Au is bonded in a linear geometry to one Ca and one Tl atom. The Au–Tl bond length is 2.88 Å. Tl is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1746353
title: Materials Data on LaFe2AsN by Materials Project

description: LaFe2AsN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La2+ is bonded in a 4-coordinate geometry to three equivalent As3- and four equivalent N3- atoms. There are one shorter (3.03 Å) and two longer (3.15 Å) La–As bond lengths. All La–N bond lengths are 2.64 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent As3- and one N3- atom. There are one shorter (2.43 Å) and two longer (2.45 Å) Fe–As bond lengths. The Fe–N bond length is 1.91 Å. As3- is bonded in a 9-coordinate geometry to three equivalent La2+ and six equivalent Fe2+ atoms. N3- is bonded to four equivalent La2+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing NLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 20°.