cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1721295
title: Materials Data on La2Fe2S2O3 by Materials Project

description: La2O2Fe2OS2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All La–S bond lengths are 3.27 Å. All La–O bond lengths are 2.37 Å. Fe2+ is bonded in a distorted linear geometry to four equivalent S2- and two equivalent O2- atoms. All Fe–S bond lengths are 2.66 Å. Both Fe–O bond lengths are 2.02 Å. S2- is bonded in a 12-coordinate geometry to four equivalent La3+ and four equivalent Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a square co-planar geometry to four equivalent Fe2+ atoms.
DOI: 10.17188/1721296
title: Materials Data on Na3Mn4(TeO6)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: 10.17188/1721297
title: Materials Data on Na3FeO3 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: 10.17188/1721299
title: Materials Data on LaMnFe3(BiO4)3 by Materials Project

description: LaMnFe3(BiO4)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. La3+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.26–2.84 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Mn–O bond distances ranging from 1.98–2.23 Å. There are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of Fe–O bond distances ranging from 2.01–2.06 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with three equivalent MnO6 octahedra and corners with three equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of Fe–O bond distances ranging from 2.02–2.06 Å. In the third Fe3+ site, Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Fe–O bond distances ranging from 2.01–2.12 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.38–2.86 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.37–2.87 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.40–2.85 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Fe3+ and three Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Mn3+, one Fe3+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Fe3+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Mn3+, one Fe3+, and one Bi3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, two Fe3+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Mn3+, one Fe3+, and two Bi3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Fe3+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Mn3+, one Fe3+, and one Bi3+ atom.
DOI: 10.17188/1721300
title: Materials Data on ThN2 by Materials Project

description: ThN2 is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th4+ is bonded in a body-centered cubic geometry to eight equivalent N2- atoms. There are six shorter (2.46 Å) and two longer (2.47 Å) Th–N bond lengths. N2- is bonded to four equivalent Th4+ atoms to form a mixture of corner and edge-sharing NTh4 tetrahedra.
DOI: 10.17188/1721302
title: Materials Data on KLuTa2O7 by Materials Project

description: KLuTa2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. K1+ is bonded to eight O2- atoms to form KO8 hexagonal bipyramids that share edges with two equivalent KO8 hexagonal bipyramids and edges with six TaO6 octahedra. There are a spread of K–O bond distances ranging from 2.56–2.76 Å. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.08–2.72 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and edges with two equivalent KO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.97 Å) and four longer (2.00 Å) Ta–O bond length. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and edges with four equivalent KO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–42°. There is two shorter (1.97 Å) and four longer (2.01 Å) Ta–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+ and two equivalent Lu3+ atoms to form distorted corner-sharing OK2Lu2 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Lu3+, and two Ta5+ atoms.
DOI: 10.17188/1721303
title: Materials Data on H8C5 by Materials Project

description: (CH)2(CH2)3 crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of eight methane molecules and twelve methane molecules.
DOI: 10.17188/1721304
title: Materials Data on Pt3(RhSe5)2 by Materials Project

description: (RhSe2)2(PtSe2)3 is Calaverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of three PtSe2 sheets oriented in the (0, 0, 1) direction and two RhSe2 sheets oriented in the (0, 0, 1) direction. In each PtSe2 sheet, Pt+4.67+ is bonded to six Se2- atoms to form edge-sharing PtSe6 octahedra. There are three shorter (2.53 Å) and three longer (2.54 Å) Pt–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Pt+4.67+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Pt+4.67+ atoms. In each RhSe2 sheet, Rh3+ is bonded to six Se2- atoms to form edge-sharing RhSe6 octahedra. There are three shorter (2.50 Å) and three longer (2.53 Å) Rh–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Rh3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Rh3+ atoms.
DOI: 10.17188/1721305
title: Materials Data on CeAs2 by Materials Project

description: CeAs2 is Cotunnite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Ce–As bond distances ranging from 2.98–3.16 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 5-coordinate geometry to five equivalent Ce4+ and two equivalent As2- atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) As–As bond lengths. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce4+ and four As2- atoms. There are one shorter (2.66 Å) and one longer (2.69 Å) As–As bond lengths.
DOI: 10.17188/1721306
title: Materials Data on Na2NiH4(SeO5)2 by Materials Project

description: Na2Ni(SeO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two water molecules and one Na2Ni(SeO4)2 cluster. In the Na2Ni(SeO4)2 cluster, Na1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.80–2.35 Å. Ni2+ is bonded in a 2-coordinate geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (2.09 Å) Ni–O bond length. Se6+ is bonded in a distorted L-shaped geometry to two O2- atoms. There is one shorter (1.38 Å) and one longer (1.64 Å) Se–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Se6+ atom.
DOI: 10.17188/1721307
title: Materials Data on Ba2SnO16 by Materials Project

description: Ba2SnO16 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ba2SnO16 sheet oriented in the (0, 1, 0) direction. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.25 Å. Sn is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.91 Å) and two longer (2.25 Å) Sn–O bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ba, one Sn, and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ba and one Sn atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom. The O–O bond length is 1.39 Å. In the fifth O site, O is bonded in a water-like geometry to one Ba and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one O atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1721308
title: Materials Data on Be2CoN2(O3F4)2 by Materials Project

description: (BeNF4)2CoO6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two cobalt;hexahydrate molecules and four BeNF4 clusters. In each BeNF4 cluster, Be is bonded in a distorted trigonal non-coplanar geometry to three F atoms. There is two shorter (1.41 Å) and one longer (1.91 Å) Be–F bond length. N is bonded in a water-like geometry to two F atoms. There is one shorter (1.35 Å) and one longer (1.45 Å) N–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one N atom. In the second F site, F is bonded in a bent 120 degrees geometry to one Be and one N atom. In the third F site, F is bonded in a single-bond geometry to one Be atom. In the fourth F site, F is bonded in a single-bond geometry to one Be atom.
DOI: 10.17188/1721309
title: Materials Data on MgCr7(SO4)12 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: 10.17188/1721310
title: Materials Data on LaGe2PdRh by Materials Project

description: LaRhPdGe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Rh, four equivalent Pd, and eight Ge atoms. All La–Rh bond lengths are 3.40 Å. All La–Pd bond lengths are 3.28 Å. There are four shorter (3.34 Å) and four longer (3.35 Å) La–Ge bond lengths. Rh is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.52 Å. Pd is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.52 Å) and four longer (2.56 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Rh, and one Pd atom.
DOI: 10.17188/1721311
title: Materials Data on Sr2La4Mg2RuO12 by Materials Project

description: Sr2Mg2La4RuO12 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.33–2.78 Å. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mg–O bond distances ranging from 1.96–2.28 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.82 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.80 Å. Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.96 Å) and two longer (2.12 Å) Ru–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to one Mg2+ and five equivalent La3+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ru4+ atom to form distorted OSr4LaRu octahedra that share corners with seventeen OLa4Mg2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the third O2- site, O2- is bonded to one Sr2+, one Mg2+, and four equivalent La3+ atoms to form distorted OSrLa4Mg octahedra that share corners with sixteen OLa4Mg2 octahedra, edges with eight OSr4LaRu octahedra, and faces with four equivalent OLa4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 18–51°. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and four La3+ atoms to form a mixture of distorted edge, face, and corner-sharing OLa4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 1–51°. In the fifth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ru4+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.
DOI: 10.17188/1721312
title: Materials Data on NbFe(PO4)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: 10.17188/1721313
title: Materials Data on Ce3Au by Materials Project

description: Ce3Au crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted see-saw-like geometry to four equivalent Au atoms. There are two shorter (3.17 Å) and two longer (3.36 Å) Ce–Au bond lengths. In the second Ce site, Ce is bonded in a distorted see-saw-like geometry to four equivalent Au atoms. There are two shorter (3.17 Å) and two longer (3.37 Å) Ce–Au bond lengths. Au is bonded to twelve Ce atoms to form a mixture of face and corner-sharing AuCe12 cuboctahedra.
DOI: 10.17188/1721315
title: Materials Data on TaNF6 by Materials Project

description: TaNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TaNF6 ribbon oriented in the (1, 0, 0) direction. Ta5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.90 Å) and four longer (1.99 Å) Ta–F bond length. N1+ is bonded in a square co-planar geometry to four F1- atoms. All N–F bond lengths are 1.89 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted L-shaped geometry to one Ta5+ and one N1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a distorted L-shaped geometry to one Ta5+ and one N1+ atom.
DOI: 10.17188/1721316
title: Materials Data on Li3V2(OF)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: 10.17188/1721317
title: Materials Data on Li24Mn7Cr5O36 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: 10.17188/1721318
title: Materials Data on KTm(CO3)2 by Materials Project

description: KTm(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.24 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.25–2.48 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+, one Tm3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Tm3+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Tm3+, and one C4+ atom.
DOI: 10.17188/1721319
title: Materials Data on Sm6Cd(SiS7)2 by Materials Project

description: Sm6Cd(SiS7)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.84–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.04 Å. Cd2+ is bonded in an octahedral geometry to six S2- atoms. There are three shorter (2.68 Å) and three longer (2.71 Å) Cd–S bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.10 Å) and three longer (2.15 Å) Si–S bond lengths. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.11 Å) and three longer (2.15 Å) Si–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Sm3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent Sm3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Sm3+ and one Cd2+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Sm3+ and one Cd2+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Sm3+ and one Si4+ atom.
DOI: 10.17188/1721320
title: Materials Data on Ca2Mg5(SiO3)8 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: 10.17188/1721321
title: Materials Data on CeBr3O7 by Materials Project

description: CeO5Br3O2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one CeO5Br3 ribbon oriented in the (1, 0, 0) direction. In the CeO5Br3 ribbon, Ce is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ce–O bond distances ranging from 1.91–2.47 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.74 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Ce and one Br atom. The O–Br bond length is 2.37 Å. In the third O site, O is bonded in a water-like geometry to one Ce and one Br atom. The O–Br bond length is 1.80 Å. In the fourth O site, O is bonded in a linear geometry to one Ce and one Br atom. The O–Br bond length is 1.81 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Br atom. The O–Br bond length is 1.77 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O atom. In the second Br site, Br is bonded in a distorted T-shaped geometry to three O atoms. In the third Br site, Br is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1721322
title: Materials Data on CoPO4 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: 10.17188/1721323
title: Materials Data on MgSnN2 by Materials Project

description: MgSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are two shorter (2.11 Å) and two longer (2.12 Å) Mg–N bond lengths. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. There are two shorter (2.09 Å) and two longer (2.10 Å) Sn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form corner-sharing NMg2Sn2 tetrahedra.