cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1743822
title: Materials Data on Be2BH3O5 by Materials Project

description: Be2BH3O5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.68 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.66 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.52 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Be2+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Be2+ and two H1+ atoms.
DOI: 10.17188/1743823
title: Materials Data on Sr2FeMoNO5 by Materials Project

description: Sr2FeMoO5N crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Sr2+ is bonded to two equivalent N3- and ten O2- atoms to form distorted SrN2O10 cuboctahedra that share corners with twelve equivalent SrN2O10 cuboctahedra, faces with six equivalent SrN2O10 cuboctahedra, faces with four equivalent MoNO5 octahedra, and faces with four equivalent FeNO5 octahedra. There are one shorter (2.80 Å) and one longer (2.84 Å) Sr–N bond lengths. There are a spread of Sr–O bond distances ranging from 2.64–3.10 Å. Mo6+ is bonded to one N3- and five O2- atoms to form distorted MoNO5 octahedra that share corners with six equivalent FeNO5 octahedra and faces with eight equivalent SrN2O10 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–17°. The Mo–N bond length is 1.77 Å. There are four shorter (1.97 Å) and one longer (2.32 Å) Mo–O bond lengths. Fe3+ is bonded to one N3- and five O2- atoms to form distorted FeNO5 octahedra that share corners with six equivalent MoNO5 octahedra and faces with eight equivalent SrN2O10 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–17°. The Fe–N bond length is 2.28 Å. There are a spread of Fe–O bond distances ranging from 1.88–2.04 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Fe3+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+, one Mo6+, and one Fe3+ atom.
DOI: 10.17188/1743824
title: Materials Data on Sr3NbCoO7 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: 10.17188/1743826
title: Materials Data on NaFeN 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: 10.17188/1743827
title: Materials Data on BeAlPt2 by Materials Project

description: BePt2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BePt2Al ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Pt atoms. Both Be–Pt bond lengths are 2.09 Å. Pt is bonded in a linear geometry to one Be and one Al atom. The Pt–Al bond length is 2.30 Å. Al is bonded in a linear geometry to two equivalent Pt atoms.
DOI: 10.17188/1743828
title: Materials Data on Ga2HgSe4 by Materials Project

description: HgGa2Se4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Hg2+ is bonded to six Se2- atoms to form HgSe6 octahedra that share corners with two equivalent GaSe6 octahedra, corners with four equivalent HgSe6 octahedra, and edges with eight GaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are four shorter (2.80 Å) and two longer (2.99 Å) Hg–Se bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six Se2- atoms to form GaSe6 octahedra that share corners with two equivalent HgSe6 octahedra, corners with four equivalent GaSe6 octahedra, edges with four equivalent HgSe6 octahedra, and edges with four equivalent GaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are two shorter (2.45 Å) and four longer (2.80 Å) Ga–Se bond lengths. In the second Ga3+ site, Ga3+ is bonded to six Se2- atoms to form GaSe6 octahedra that share corners with four equivalent GaSe6 octahedra, edges with four equivalent HgSe6 octahedra, and edges with four equivalent GaSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two shorter (2.47 Å) and four longer (2.81 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Hg2+ and three Ga3+ atoms to form a mixture of corner and edge-sharing SeGa3Hg2 square pyramids. In the second Se2- site, Se2- is bonded in a distorted square co-planar geometry to one Hg2+ and three Ga3+ atoms.
DOI: 10.17188/1743829
title: Materials Data on PmTh3 by Materials Project

description: Th3Pm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Pm atoms to form ThPm4Th8 cuboctahedra that share corners with twelve equivalent ThPm4Th8 cuboctahedra, edges with eight equivalent PmTh12 cuboctahedra, edges with sixteen equivalent ThPm4Th8 cuboctahedra, faces with four equivalent PmTh12 cuboctahedra, and faces with fourteen equivalent ThPm4Th8 cuboctahedra. All Th–Th bond lengths are 3.58 Å. All Th–Pm bond lengths are 3.58 Å. Pm is bonded to twelve equivalent Th atoms to form PmTh12 cuboctahedra that share corners with twelve equivalent PmTh12 cuboctahedra, edges with twenty-four equivalent ThPm4Th8 cuboctahedra, faces with six equivalent PmTh12 cuboctahedra, and faces with twelve equivalent ThPm4Th8 cuboctahedra.
DOI: 10.17188/1743830
title: Materials Data on MnTlRh2 by Materials Project

description: MnRh2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MnRh2Tl ribbons oriented in the (1, 0, 0) direction. Mn is bonded in a linear geometry to two equivalent Rh atoms. Both Mn–Rh bond lengths are 2.10 Å. Rh is bonded in a linear geometry to one Mn and one Tl atom. The Rh–Tl bond length is 2.71 Å. Tl is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1743831
title: Materials Data on NaH6CSNO3 by Materials Project

description: NaCNH6SO3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one S2- and five O2- atoms. The Na–S bond length is 2.96 Å. There are a spread of Na–O bond distances ranging from 2.37–2.48 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N3- and one S2- atom. Both C–N bond lengths are 1.36 Å. The C–S bond length is 1.73 Å. N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S2- is bonded in a water-like geometry to one Na1+ and one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms.
DOI: 10.17188/1743832
title: Materials Data on Na3MoO4F by Materials Project

description: Na3MoO4F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- and two equivalent F1- atoms to form distorted NaO4F2 octahedra that share corners with two equivalent NaO4F2 octahedra, corners with four equivalent NaO4F2 pentagonal pyramids, corners with four equivalent MoO4 tetrahedra, and faces with four equivalent NaO4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. There are a spread of Na–O bond distances ranging from 2.42–2.60 Å. There are one shorter (2.26 Å) and one longer (2.44 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded to four O2- and two equivalent F1- atoms to form distorted NaO4F2 pentagonal pyramids that share corners with two equivalent NaO4F2 octahedra, corners with three equivalent NaO4F2 pentagonal pyramids, corners with four equivalent MoO4 tetrahedra, edges with two equivalent NaO4F2 pentagonal pyramids, faces with two equivalent NaO4F2 octahedra, and a faceface with one NaO4F2 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 71–76°. There are a spread of Na–O bond distances ranging from 2.38–2.72 Å. There are one shorter (2.31 Å) and one longer (2.37 Å) Na–F bond lengths. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four equivalent NaO4F2 octahedra and corners with eight equivalent NaO4F2 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 49–67°. There are a spread of Mo–O bond distances ranging from 1.79–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Mo6+ atom to form ONa3Mo tetrahedra that share corners with six equivalent FNa6 octahedra. The corner-sharing octahedra tilt angles range from 11–64°. F1- is bonded to six Na1+ atoms to form FNa6 octahedra that share corners with six equivalent ONa3Mo tetrahedra and faces with two equivalent FNa6 octahedra.
DOI: 10.17188/1743834
title: Materials Data on RbPr2Cl7 by Materials Project

description: RbPr2Cl7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.20–3.43 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are one shorter (3.36 Å) and two longer (3.60 Å) Rb–Cl bond lengths. There are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pr–Cl bond distances ranging from 2.84–3.00 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Pr–Cl bond distances ranging from 2.74–3.08 Å. In the third Pr3+ site, Pr3+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Pr–Cl bond distances ranging from 2.84–3.42 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Rb1+ and two Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Rb1+ and two Pr3+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Pr3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to three Pr3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three Pr3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Pr3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three Pr3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Pr3+ atoms. In the ninth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to one Rb1+ and two Pr3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Pr3+ atoms.
DOI: 10.17188/1743835
title: Materials Data on Zr3Mn by Materials Project

description: MnZr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Mn atoms to form ZrZr8Mn4 cuboctahedra that share corners with twelve equivalent ZrZr8Mn4 cuboctahedra, edges with eight equivalent MnZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Mn4 cuboctahedra, faces with four equivalent MnZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Mn4 cuboctahedra. All Zr–Zr bond lengths are 3.09 Å. All Zr–Mn bond lengths are 3.09 Å. Mn is bonded to twelve equivalent Zr atoms to form MnZr12 cuboctahedra that share corners with twelve equivalent MnZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Mn4 cuboctahedra, faces with six equivalent MnZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Mn4 cuboctahedra.
DOI: 10.17188/1743836
title: Materials Data on MnV5O12 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: 10.17188/1743837
title: Materials Data on RbLiMg6O7 by Materials Project

description: RbLiMg6O7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are four shorter (2.68 Å) and one longer (3.23 Å) Rb–O bond lengths. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.08 Å. There are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with four equivalent MgO5 square pyramids, edges with four equivalent MgO6 octahedra, and edges with four equivalent MgO5 square pyramids. There are four shorter (2.07 Å) and one longer (2.13 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MgO6 octahedra and edges with eight MgO5 square pyramids. The corner-sharing octahedral tilt angles are 9°. There are a spread of Mg–O bond distances ranging from 2.02–2.46 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.90–2.69 Å. In the fourth Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with four equivalent MgO5 square pyramids, edges with two equivalent MgO6 octahedra, and edges with six MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.07–2.13 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Mg2+ atoms to form OMg5 square pyramids that share corners with four equivalent OMg5 square pyramids and edges with eight ORbMg5 octahedra. In the second O2- site, O2- is bonded to five Mg2+ atoms to form distorted OMg5 trigonal bipyramids that share a cornercorner with one ORbMg5 octahedra, corners with eight OMg5 trigonal bipyramids, and edges with four equivalent OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to one Rb1+ and five Mg2+ atoms to form distorted ORbMg5 octahedra that share corners with four equivalent ORbMg5 octahedra, corners with five OMg5 trigonal bipyramids, edges with four equivalent OMg6 octahedra, and edges with four equivalent OMg5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the fourth O2- site, O2- is bonded to two equivalent Rb1+, two equivalent Li1+, and one Mg2+ atom to form distorted ORb2Li2Mg trigonal bipyramids that share corners with three ORbMg5 octahedra, corners with six OMg5 trigonal bipyramids, and edges with four equivalent ORb2Li2Mg trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. In the fifth O2- site, O2- is bonded to six Mg2+ atoms to form distorted OMg6 octahedra that share corners with four equivalent OMg6 octahedra, a cornercorner with one ORb2Li2Mg trigonal bipyramid, edges with six ORbMg5 octahedra, edges with two equivalent OMg5 square pyramids, and edges with two equivalent OMg5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 5–9°.
DOI: 10.17188/1743838
title: Materials Data on Li2MnCuO4 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: 10.17188/1743839
title: Materials Data on Li2MnFe(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: 10.17188/1743840
title: Materials Data on HfZn2Ga by Materials Project

description: HfZn2Ga crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to eight equivalent Zn and four equivalent Ga atoms to form HfZn8Ga4 cuboctahedra that share corners with twelve equivalent HfZn8Ga4 cuboctahedra, edges with eight equivalent GaHf4Zn8 cuboctahedra, edges with sixteen equivalent ZnHf4Zn4Ga4 cuboctahedra, faces with four equivalent GaHf4Zn8 cuboctahedra, faces with six equivalent HfZn8Ga4 cuboctahedra, and faces with eight equivalent ZnHf4Zn4Ga4 cuboctahedra. All Hf–Zn bond lengths are 2.87 Å. All Hf–Ga bond lengths are 2.83 Å. Zn is bonded to four equivalent Hf, four equivalent Zn, and four equivalent Ga atoms to form ZnHf4Zn4Ga4 cuboctahedra that share corners with twelve equivalent ZnHf4Zn4Ga4 cuboctahedra, edges with eight equivalent HfZn8Ga4 cuboctahedra, edges with eight equivalent ZnHf4Zn4Ga4 cuboctahedra, edges with eight equivalent GaHf4Zn8 cuboctahedra, faces with four equivalent HfZn8Ga4 cuboctahedra, faces with four equivalent GaHf4Zn8 cuboctahedra, and faces with ten equivalent ZnHf4Zn4Ga4 cuboctahedra. All Zn–Zn bond lengths are 2.83 Å. All Zn–Ga bond lengths are 2.87 Å. Ga is bonded to four equivalent Hf and eight equivalent Zn atoms to form GaHf4Zn8 cuboctahedra that share corners with twelve equivalent GaHf4Zn8 cuboctahedra, edges with eight equivalent HfZn8Ga4 cuboctahedra, edges with sixteen equivalent ZnHf4Zn4Ga4 cuboctahedra, faces with four equivalent HfZn8Ga4 cuboctahedra, faces with six equivalent GaHf4Zn8 cuboctahedra, and faces with eight equivalent ZnHf4Zn4Ga4 cuboctahedra.
DOI: 10.17188/1743841
title: Materials Data on Ba(SbRu)2 by Materials Project

description: Ba(RuSb)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Ba–Sb bond lengths are 3.64 Å. Ru2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing RuSb4 tetrahedra. All Ru–Sb bond lengths are 2.60 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ru2+ atoms.
DOI: 10.17188/1743842
title: Materials Data on Ag(NO2)3 by Materials Project

description: (Ag(NO3)2)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules and two Ag(NO3)2 sheets oriented in the (0, 0, 1) direction. In each Ag(NO3)2 sheet, Ag1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.91 Å. There are two inequivalent N+3.67+ sites. In the first N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the second N+3.67+ site, N+3.67+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and one N+3.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N+3.67+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N+3.67+ atom. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to one Ag1+ and one N+3.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+3.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag1+ and one N+3.67+ atom.