cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316912
title: Materials Data on LaTcN3 by Materials Project

description: LaTcN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent TcN4 tetrahedra and edges with two equivalent LaN6 octahedra. There are a spread of La–N bond distances ranging from 2.38–2.64 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.47–2.71 Å. Tc6+ is bonded to four N3- atoms to form TcN4 tetrahedra that share corners with three equivalent LaN6 octahedra and corners with two equivalent TcN4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–71°. There are a spread of Tc–N bond distances ranging from 1.80–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three La3+ and one Tc6+ atom. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Tc6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Tc6+ atoms.
DOI: 10.17188/1316913
title: Materials Data on LaTaN3 by Materials Project

description: LaTaN3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of La–N bond distances ranging from 2.49–3.01 Å. Ta5+ is bonded to six N+2.67- atoms to form a mixture of edge and corner-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 14–29°. There are a spread of Ta–N bond distances ranging from 2.00–2.18 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Ta5+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent La3+, two equivalent Ta5+, and one N+2.67- atom. The N–N bond length is 1.47 Å.
DOI: 10.17188/1316914
title: Materials Data on LaOsN3 by Materials Project

description: LaOsN3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight N3- atoms. There are four shorter (2.70 Å) and four longer (2.71 Å) La–N bond lengths. Os6+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+, one Os6+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted edge, face, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedral tilt angles are 62°.
DOI: 10.17188/1316915
title: Materials Data on BaWN3 by Materials Project

description: BaWN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Ba–N bond distances ranging from 2.84–3.15 Å. W6+ is bonded to four N+2.67- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.95 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one W6+, and one N+2.67- atom. The N–N bond length is 1.35 Å. In the third N+2.67- site, N+2.67- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one W6+ atom.
DOI: 10.17188/1316916
title: Materials Data on SrReN3 by Materials Project

description: SrReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.65–3.30 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.66 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–68°. There are a spread of Re–N bond distances ranging from 1.75–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Re7+ atoms.
DOI: 10.17188/1316917
title: Materials Data on TiPN3 by Materials Project

description: TiPN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six N3- atoms to form TiN6 octahedra that share corners with eight equivalent PN4 tetrahedra and edges with three equivalent TiN6 octahedra. There are a spread of Ti–N bond distances ranging from 2.01–2.17 Å. In the second Ti4+ site, Ti4+ is bonded to six N3- atoms to form TiN6 octahedra that share corners with six equivalent PN4 tetrahedra and edges with five TiN6 octahedra. There are a spread of Ti–N bond distances ranging from 1.97–2.20 Å. P5+ is bonded to four N3- atoms to form PN4 tetrahedra that share corners with seven TiN6 octahedra and corners with two equivalent PN4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–66°. There are a spread of P–N bond distances ranging from 1.62–1.68 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Ti4+ and two equivalent P5+ atoms. In the second N3- site, N3- is bonded to three Ti4+ and one P5+ atom to form a mixture of distorted edge and corner-sharing NTi3P trigonal pyramids. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two Ti4+ and one P5+ atom.
DOI: 10.17188/1316918
title: Materials Data on SrWN3 by Materials Project

description: SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent W6+, and one N+2.67- atom. In the fifth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to four Sr2+ and one W6+ atom. In the sixth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two W6+ atoms.
DOI: 10.17188/1316919
title: Materials Data on LaWN3 by Materials Project

description: LaWN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.55–2.73 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of La–N bond distances ranging from 2.46–3.04 Å. W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.51 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent W6+ atoms to form distorted NLa2W2 tetrahedra that share corners with four equivalent NLa4W2 octahedra, corners with two equivalent NLa2W2 tetrahedra, and an edgeedge with one NLa4W2 octahedra. The corner-sharing octahedra tilt angles range from 12–21°. In the second N3- site, N3- is bonded to four La3+ and two equivalent W6+ atoms to form distorted NLa4W2 octahedra that share corners with four equivalent NLa2W2 tetrahedra, edges with two equivalent NLa4W2 octahedra, and an edgeedge with one NLa2W2 tetrahedra. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four La3+ and two equivalent W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to two La3+ and two equivalent W6+ atoms.
DOI: 10.17188/1316920
title: Materials Data on SrTcN3 by Materials Project

description: SrTcN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.66–3.04 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent TcN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.65 Å. Tc7+ is bonded to four N3- atoms to form TcN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent TcN4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–68°. There are a spread of Tc–N bond distances ranging from 1.73–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Tc7+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three Sr2+ and one Tc7+ atom. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Tc7+ atom.
DOI: 10.17188/1316921
title: Materials Data on YReN3 by Materials Project

description: YReN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six N3- atoms to form YN6 octahedra that share corners with six equivalent ReN4 tetrahedra, edges with two equivalent YN6 octahedra, and edges with three equivalent YN6 pentagonal pyramids. There are a spread of Y–N bond distances ranging from 2.28–2.51 Å. In the second Y3+ site, Y3+ is bonded to six N3- atoms to form distorted YN6 pentagonal pyramids that share corners with four equivalent ReN4 tetrahedra, edges with three equivalent YN6 octahedra, and edges with two equivalent ReN4 tetrahedra. There are a spread of Y–N bond distances ranging from 2.38–2.49 Å. Re6+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent YN6 octahedra, corners with two equivalent YN6 pentagonal pyramids, corners with two equivalent ReN4 tetrahedra, and an edgeedge with one YN6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 29–67°. There are a spread of Re–N bond distances ranging from 1.81–1.89 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one Y3+ and two equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to two Y3+ and one Re6+ atom. In the third N3- site, N3- is bonded to three Y3+ and one Re6+ atom to form a mixture of distorted edge and corner-sharing NY3Re tetrahedra.
DOI: 10.17188/1316922
title: Materials Data on CsRb2GaF6 by Materials Project

description: CsRb2GaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.80 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.37 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.93 Å. F1- is bonded in a 2-coordinate geometry to one Cs1+, four equivalent Rb1+, and one Ga3+ atom.
DOI: 10.17188/1316923
title: Materials Data on LaWN3 by Materials Project

description: LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.
DOI: 10.17188/1316924
title: Materials Data on LaMoN3 by Materials Project

description: LaMoN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of La–N bond distances ranging from 2.54–3.17 Å. In the second La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent MoN4 tetrahedra and edges with two equivalent LaN6 octahedra. There are a spread of La–N bond distances ranging from 2.44–2.59 Å. Mo6+ is bonded to four N3- atoms to form MoN4 tetrahedra that share corners with three equivalent LaN6 octahedra and corners with two equivalent MoN4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are a spread of Mo–N bond distances ranging from 1.79–1.97 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one Mo6+ atom. In the second N3- site, N3- is bonded to three La3+ and one Mo6+ atom to form a mixture of distorted corner and edge-sharing NLa3Mo tetrahedra. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Mo6+ atoms.
DOI: 10.17188/1316925
title: Materials Data on LaOsN3 by Materials Project

description: LaOsN3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.48–2.72 Å. Os6+ is bonded to four N3- atoms to form distorted edge-sharing OsN4 tetrahedra. There are a spread of Os–N bond distances ranging from 1.77–1.97 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Os6+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Os6+ atom. In the third N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Os6+ atoms.
DOI: 10.17188/1316926
title: Materials Data on LaWN3 by Materials Project

description: LaWN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent WN4 tetrahedra and edges with two equivalent LaN6 octahedra. There are a spread of La–N bond distances ranging from 2.43–2.60 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are four shorter (2.53 Å) and two longer (2.82 Å) La–N bond lengths. W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with three equivalent LaN6 octahedra and corners with two equivalent WN4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–69°. There are a spread of W–N bond distances ranging from 1.81–1.96 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to two La3+ and one W6+ atom. In the third N3- site, N3- is bonded to three La3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NLa3W tetrahedra.
DOI: 10.17188/1316927
title: Materials Data on CaTcN3 by Materials Project

description: CaTcN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six N3- atoms to form distorted CaN6 pentagonal pyramids that share corners with four equivalent TcN4 tetrahedra, edges with three equivalent CaN6 octahedra, and edges with two equivalent TcN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.49–2.56 Å. In the second Ca2+ site, Ca2+ is bonded to six N3- atoms to form CaN6 octahedra that share corners with six equivalent TcN4 tetrahedra, edges with two equivalent CaN6 octahedra, and edges with three equivalent CaN6 pentagonal pyramids. There are a spread of Ca–N bond distances ranging from 2.40–2.50 Å. Tc7+ is bonded to four N3- atoms to form TcN4 tetrahedra that share corners with three equivalent CaN6 octahedra, corners with two equivalent CaN6 pentagonal pyramids, corners with two equivalent TcN4 tetrahedra, and an edgeedge with one CaN6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 30–67°. There are a spread of Tc–N bond distances ranging from 1.74–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ca2+ and two equivalent Tc7+ atoms. In the second N3- site, N3- is bonded to three Ca2+ and one Tc7+ atom to form a mixture of distorted edge and corner-sharing NCa3Tc tetrahedra. In the third N3- site, N3- is bonded in a distorted T-shaped geometry to two Ca2+ and one Tc7+ atom.
DOI: 10.17188/1316928
title: Materials Data on CaMoN3 by Materials Project

description: CaMoN3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six N+2.67- atoms. There are a spread of Ca–N bond distances ranging from 2.42–2.66 Å. Mo6+ is bonded to five N+2.67- atoms to form distorted MoN5 trigonal bipyramids that share a cornercorner with one NCa2MoN tetrahedra, corners with two equivalent MoN5 trigonal bipyramids, and edges with two equivalent MoN5 trigonal bipyramids. There are a spread of Mo–N bond distances ranging from 1.79–2.09 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to one Ca2+ and three equivalent Mo6+ atoms to form distorted NCaMo3 tetrahedra that share corners with seven NCaMo3 tetrahedra, corners with four equivalent NCa3Mo trigonal pyramids, edges with two equivalent NCaMo3 tetrahedra, and an edgeedge with one NCa3Mo trigonal pyramid. In the second N+2.67- site, N+2.67- is bonded to three equivalent Ca2+ and one Mo6+ atom to form distorted NCa3Mo trigonal pyramids that share corners with nine NCaMo3 tetrahedra, corners with two equivalent NCa3Mo trigonal pyramids, edges with two NCaMo3 tetrahedra, and edges with two equivalent NCa3Mo trigonal pyramids. In the third N+2.67- site, N+2.67- is bonded to two equivalent Ca2+, one Mo6+, and one N+2.67- atom to form NCa2MoN tetrahedra that share corners with seven NCaMo3 tetrahedra, a cornercorner with one MoN5 trigonal bipyramid, corners with five equivalent NCa3Mo trigonal pyramids, and an edgeedge with one NCa3Mo trigonal pyramid. The N–N bond length is 1.36 Å.
DOI: 10.17188/1316929
title: Materials Data on BaWN3 by Materials Project

description: BaWN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Ba–N bond distances ranging from 2.67–3.35 Å. W6+ is bonded to five N+2.67- atoms to form a mixture of distorted edge and corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.08 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one W6+ atom. In the second N+2.67- site, N+2.67- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one W6+, and one N+2.67- atom. The N–N bond length is 1.32 Å. In the third N+2.67- site, N+2.67- is bonded to one Ba2+ and three equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NBaW3 tetrahedra.
DOI: 10.17188/1316930
title: Materials Data on BaReN3 by Materials Project

description: BaReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.16 Å. In the second Ba2+ site, Ba2+ is bonded to six N3- atoms to form BaN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent BaN6 octahedra. There are a spread of Ba–N bond distances ranging from 2.71–2.86 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent BaN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–70°. There are a spread of Re–N bond distances ranging from 1.76–1.93 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to three Ba2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Re7+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two Ba2+ and one Re7+ atom.