cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1654301
title: Materials Data on SrMg6Cu by Materials Project

description: SrMg6Cu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to ten Mg and two equivalent Cu atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.75 Å. Both Sr–Cu bond lengths are 3.30 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Sr, six Mg, and one Cu atom. There are a spread of Mg–Mg bond distances ranging from 3.08–3.44 Å. The Mg–Cu bond length is 2.69 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr, six Mg, and two equivalent Cu atoms. There are a spread of Mg–Mg bond distances ranging from 2.96–3.30 Å. Both Mg–Cu bond lengths are 2.92 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg atoms. Both Mg–Mg bond lengths are 3.18 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sr and eight Mg atoms. Cu is bonded in a 8-coordinate geometry to two equivalent Sr and six Mg atoms.
DOI: 10.17188/1654303
title: Materials Data on AlCdSbTe by Materials Project

description: CdAlSbTe is Stannite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to one Sb3- and three equivalent Te2- atoms to form CdSbTe3 tetrahedra that share corners with six equivalent CdSbTe3 tetrahedra and corners with six equivalent AlSb3Te tetrahedra. The Cd–Sb bond length is 2.81 Å. All Cd–Te bond lengths are 2.86 Å. Al3+ is bonded to three equivalent Sb3- and one Te2- atom to form AlSb3Te tetrahedra that share corners with six equivalent CdSbTe3 tetrahedra and corners with six equivalent AlSb3Te tetrahedra. All Al–Sb bond lengths are 2.73 Å. The Al–Te bond length is 2.68 Å. Sb3- is bonded to one Cd2+ and three equivalent Al3+ atoms to form SbAl3Cd tetrahedra that share corners with six equivalent SbAl3Cd tetrahedra and corners with six equivalent TeAlCd3 tetrahedra. Te2- is bonded to three equivalent Cd2+ and one Al3+ atom to form TeAlCd3 tetrahedra that share corners with six equivalent SbAl3Cd tetrahedra and corners with six equivalent TeAlCd3 tetrahedra.
DOI: 10.17188/1654305
title: Materials Data on YbPaIr2 by Materials Project

description: PaYbIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Pa–Ir bond lengths are 2.96 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Yb–Ir bond lengths are 2.96 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Yb atoms.
DOI: 10.17188/1654306
title: Materials Data on Mg2PbN2 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: 10.17188/1654307
title: Materials Data on Rb3Sr by Materials Project

description: Rb3Sr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to four equivalent Rb and four equivalent Sr atoms. All Rb–Rb bond lengths are 4.71 Å. All Rb–Sr bond lengths are 4.71 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Sr is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.
DOI: 10.17188/1654308
title: Materials Data on Na2P2O13 by Materials Project

description: Na2P2O13 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Na2P2O13 sheets oriented in the (0, 0, 1) direction. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.24–2.96 Å. P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.78 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na and one O atom. The O–O bond length is 1.34 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. In the sixth O site, O is bonded in a water-like geometry to one Na and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one O atom.
DOI: 10.17188/1654309
title: Materials Data on Tc2GeMo by Materials Project

description: MoTc2Ge crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MoTc2Ge ribbons oriented in the (1, 0, 0) direction. Mo2+ is bonded in a linear geometry to two equivalent Tc3- atoms. Both Mo–Tc bond lengths are 2.22 Å. Tc3- is bonded in a linear geometry to one Mo2+ and one Ge4+ atom. The Tc–Ge bond length is 2.38 Å. Ge4+ is bonded in a linear geometry to two equivalent Tc3- atoms.
DOI: 10.17188/1654310
title: Materials Data on CaBi3PbWClO8 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: 10.17188/1654311
title: Materials Data on DyZr6(PO4)9 by Materials Project

description: DyZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Dy3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Dy–O bond lengths are 2.37 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.08 Å) and three longer (2.12 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.24 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 25–48°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is two shorter (1.52 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+, one Zr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom.
DOI: 10.17188/1654312
title: Materials Data on Ag2(MoO4)3 by Materials Project

description: Ag2(MoO4)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.23 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.34 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded to six O2- atoms to form AgO6 octahedra that share edges with two equivalent AgO6 octahedra and edges with two equivalent AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.29–2.56 Å. In the second Ag3+ site, Ag3+ is bonded to five O2- atoms to form edge-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.33–2.53 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ag3+ and one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two Ag3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and three Ag3+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Mo6+ and one Ag3+ atom.
DOI: 10.17188/1654313
title: Materials Data on CsLiTa(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: 10.17188/1654314
title: Materials Data on LiMn2(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: 10.17188/1654315
title: Materials Data on DyCdAu by Materials Project

description: DyAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.07 Å) and one longer (3.21 Å) Dy–Au bond lengths. There are two shorter (3.23 Å) and four longer (3.41 Å) Dy–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Cd atoms. All Au–Cd bond lengths are 2.83 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Dy and four Au atoms.
DOI: 10.17188/1654316
title: Materials Data on Sr2Zn5Si3 by Materials Project

description: Sr2Zn5Si3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to twelve Zn and four equivalent Si atoms. There are a spread of Sr–Zn bond distances ranging from 3.27–3.49 Å. All Sr–Si bond lengths are 3.26 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight Zn and eight Si atoms. There are four shorter (3.39 Å) and four longer (3.41 Å) Sr–Zn bond lengths. There are four shorter (3.25 Å) and four longer (3.26 Å) Sr–Si bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 2-coordinate geometry to four Sr, two equivalent Zn, and two equivalent Si atoms. Both Zn–Zn bond lengths are 2.61 Å. Both Zn–Si bond lengths are 2.58 Å. In the second Zn site, Zn is bonded to four Sr and four Si atoms to form a mixture of distorted edge and face-sharing ZnSr4Si4 tetrahedra. All Zn–Si bond lengths are 2.57 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to four equivalent Sr, four equivalent Zn, and one Si atom. The Zn–Si bond length is 2.48 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.41 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, four equivalent Zn, and one Si atom. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr and five Zn atoms.
DOI: 10.17188/1654317
title: Materials Data on Ti2Mn(PO4)3 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: 10.17188/1654318
title: Materials Data on Hf2MnFe by Materials Project

description: Hf2MnFe crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Hf2MnFe ribbons oriented in the (0, 0, 1) direction. Hf is bonded in a linear geometry to one Mn and one Fe atom. The Hf–Mn bond length is 2.31 Å. The Hf–Fe bond length is 2.15 Å. Mn is bonded in a linear geometry to two equivalent Hf atoms. Fe is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1654320
title: Materials Data on YO by Materials Project

description: YO crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to five equivalent O atoms to form a mixture of corner and edge-sharing YO5 trigonal bipyramids. There are three shorter (2.32 Å) and two longer (2.42 Å) Y–O bond lengths. O is bonded to five equivalent Y atoms to form a mixture of corner and edge-sharing OY5 trigonal bipyramids.
DOI: 10.17188/1654321
title: Materials Data on MgTe3(ClO)6 by Materials Project

description: MgTe(O3Cl)2(TeCl2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two tellurium dichloride molecules and one MgTe(O3Cl)2 ribbon oriented in the (1, 0, 0) direction. In the MgTe(O3Cl)2 ribbon, Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.05 Å) Mg–O bond lengths. Te+5.33+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.20 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+, one Te+5.33+, and one Cl1- atom. The O–Cl bond length is 1.71 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te+5.33+ and one O2- atom. The O–O bond length is 1.36 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mg2+ and one O2- atom. Cl1- is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1654322
title: Materials Data on LiScRh2 by Materials Project

description: LiScRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiScRh2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Rh atoms. Both Li–Rh bond lengths are 2.55 Å. Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.19 Å. Rh is bonded in a linear geometry to one Li and one Sc atom.
DOI: 10.17188/1654323
title: Materials Data on Ho2TeS2 by Materials Project

description: Ho2TeS2 is Corundum-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho3+ is bonded to two equivalent Te2- and four equivalent S2- atoms to form a mixture of edge and corner-sharing HoTe2S4 octahedra. The corner-sharing octahedra tilt angles range from 0–19°. Both Ho–Te bond lengths are 3.06 Å. There are two shorter (2.71 Å) and two longer (2.72 Å) Ho–S bond lengths. Te2- is bonded in a square co-planar geometry to four equivalent Ho3+ atoms. S2- is bonded in a distorted see-saw-like geometry to four equivalent Ho3+ atoms.
DOI: 10.17188/1654324
title: Materials Data on LiZnBP2O11 by Materials Project

description: LiZnBP2O11 crystallizes in the hexagonal P6_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form distorted LiO4 trigonal pyramids that share a cornercorner with one PO4 tetrahedra, corners with two equivalent LiO4 trigonal pyramids, and an edgeedge with one ZnO5 square pyramid. There are a spread of Li–O bond distances ranging from 1.90–2.26 Å. Zn is bonded to five O atoms to form distorted ZnO5 square pyramids that share corners with four PO4 tetrahedra and an edgeedge with one LiO4 trigonal pyramid. There are a spread of Zn–O bond distances ranging from 1.95–2.13 Å. B is bonded to four O atoms to form BO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ZnO5 square pyramids and corners with two equivalent BO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ZnO5 square pyramids, corners with two equivalent BO4 tetrahedra, and a cornercorner with one LiO4 trigonal pyramid. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the second O site, O is bonded in an L-shaped geometry to one Li and one Zn atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Li and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a 3-coordinate geometry to one Li, one Zn, and one P atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to one B and one P atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Zn and one P atom.
DOI: 10.17188/1654325
title: Materials Data on HoNpRu2 by Materials Project

description: NpHoRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Np–Ru bond lengths are 2.91 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.91 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Np and four equivalent Ho atoms.
DOI: 10.17188/1654326
title: Materials Data on LiSn2N3 by Materials Project

description: LiSn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with two equivalent LiN4 tetrahedra and corners with ten equivalent SnN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.09–2.25 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with five equivalent LiN4 tetrahedra and corners with seven equivalent SnN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.03–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Li1+ and two equivalent Sn4+ atoms to form corner-sharing NLi2Sn2 tetrahedra. In the second N3- site, N3- is bonded to one Li1+ and three equivalent Sn4+ atoms to form corner-sharing NLiSn3 tetrahedra.
DOI: 10.17188/1654327
title: Materials Data on Ce8Ga3Co by Materials Project

description: Ce8CoGa3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.75 Å. There are a spread of Ce–Ga bond distances ranging from 3.03–3.26 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.74 Å. There are a spread of Ce–Ga bond distances ranging from 3.02–3.26 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to one Co and three Ga atoms. The Ce–Co bond length is 2.55 Å. There are one shorter (3.04 Å) and two longer (3.05 Å) Ce–Ga bond lengths. In the fourth Ce site, Ce is bonded in a 1-coordinate geometry to one Co and four equivalent Ga atoms. The Ce–Co bond length is 2.86 Å. There are two shorter (3.22 Å) and two longer (3.60 Å) Ce–Ga bond lengths. In the fifth Ce site, Ce is bonded in a 1-coordinate geometry to one Co and four Ga atoms. The Ce–Co bond length is 2.85 Å. There are a spread of Ce–Ga bond distances ranging from 3.23–3.62 Å. In the sixth Ce site, Ce is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.30–3.33 Å. Co is bonded in a 7-coordinate geometry to seven Ce atoms. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to eleven Ce atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to eleven Ce atoms.
DOI: 10.17188/1654328
title: Materials Data on Li2CoOF2 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: 10.17188/1654329
title: Materials Data on Ag2S(NO)2 by Materials Project

description: Ag2S(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N1+ atoms. There are one shorter (2.06 Å) and one longer (2.07 Å) Ag–N bond lengths. In the second Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to two N1+ and two O2- atoms. There are one shorter (2.09 Å) and one longer (2.13 Å) Ag–N bond lengths. There are one shorter (2.26 Å) and one longer (2.45 Å) Ag–O bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. In the second N1+ site, N1+ is bonded in a 1-coordinate geometry to two Ag2+ and one S2- atom. The N–S bond length is 1.58 Å. S2- is bonded in a tetrahedral geometry to two N1+ and two O2- atoms. Both S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag2+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one S2- atom.