cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207924
title: Materials Data on Dy(SiRu)2 by Materials Project

description: DyRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Dy–Si bond lengths are 3.22 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.38 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Dy3+ and four equivalent Ru+2.50+ atoms.
DOI: 10.17188/1207925
title: Materials Data on YbPO4 by Materials Project

description: YbPO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.35 Å) and four longer (2.46 Å) Yb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.55 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one P5+ atom.
DOI: 10.17188/1207926
title: Materials Data on LiAlPO4F by Materials Project

description: LiAlPO4F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Li–O bond distances ranging from 2.05–2.46 Å. The Li–F bond length is 1.95 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- and two equivalent F1- atoms to form AlO4F2 octahedra that share corners with two equivalent AlO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. All Al–O bond lengths are 1.89 Å. Both Al–F bond lengths are 1.86 Å. In the second Al3+ site, Al3+ is bonded to four O2- and two equivalent F1- atoms to form AlO4F2 octahedra that share corners with two equivalent AlO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There is two shorter (1.86 Å) and two longer (1.90 Å) Al–O bond length. Both Al–F bond lengths are 1.86 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four AlO4F2 octahedra. The corner-sharing octahedra tilt angles range from 27–50°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+, one Al3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Al3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Al3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one P5+ atom. F1- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two Al3+ atoms.
DOI: 10.17188/1207927
title: Materials Data on Ca2SiO4 by Materials Project

description: Ca2SiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.72 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.24–2.94 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Ca2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Ca2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ca2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Si4+ atom.
DOI: 10.17188/1207928
title: Materials Data on Pr2CuO4 by Materials Project

description: Pr2CuO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.73 Å) Pr–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pr3+ and two equivalent Cu2+ atoms to form distorted OPr4Cu2 octahedra that share corners with two equivalent OPr4Cu2 octahedra, corners with twelve equivalent OPr4 tetrahedra, edges with two equivalent OPr4Cu2 octahedra, edges with two equivalent OPr4 tetrahedra, and faces with four equivalent OPr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with twelve equivalent OPr4Cu2 octahedra, corners with four equivalent OPr4 tetrahedra, edges with two equivalent OPr4Cu2 octahedra, and edges with four equivalent OPr4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–69°.
DOI: 10.17188/1207929
title: Materials Data on CrAgS2 by Materials Project

description: AgCrS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form edge-sharing CrS6 octahedra. There are three shorter (2.39 Å) and three longer (2.45 Å) Cr–S bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are one shorter (2.44 Å) and three longer (2.72 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Ag1+ atoms. In the second S2- site, S2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted corner-sharing SCr3Ag trigonal pyramids.
DOI: 10.5281/zenodo.4478975
title: Sky View Factor layer of Florence (Tuscany, Italy)

description: Sky View Factor (SVF) is a dimensionless parameter that returns, with values between 0 and 1, the degree of exposure of a surface to the celestial vault, or the portion of the sky visible from a certain point located at ground level (Oke, 1981). This factor is influenced by urban elements geometry: values close to 1 correspond to a large visible portion, while values close to 0 indicate a limited vision of the sky. The Florence SVF layer is a raster data (Reference System RDN2008 / UTM zone 32N - EPSG: 7791; extent: 673142.13 – 4843854.78; columns number / rows number: 15000 / 12154) with 1 m spatial resolution: it was calculated by the Digital Surface Model (DSM), obtained from the 2017 Lidar dataset. Lidar-DSM layers are available on the OpenData platform of Florence Municipality at the following link: http://dati.toscana.it/dataset/dsm-2017 (accessed on 29/01/2021).
DOI: 10.17188/1207930
title: Materials Data on BaNdNiSbO6 by Materials Project

description: BaNdNiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–3.14 Å. Nd3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.52 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 14–32°. There are a spread of Ni–O bond distances ranging from 2.09–2.15 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 14–32°. There are a spread of Sb–O bond distances ranging from 2.00–2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Nd3+, one Ni2+, and one Sb5+ atom.
DOI: 10.5281/zenodo.4478974
title: Sky View Factor layer of Florence (Tuscany, Italy)

description: Sky View Factor (SVF) is a dimensionless parameter that returns, with values between 0 and 1, the degree of exposure of a surface to the celestial vault, or the portion of the sky visible from a certain point located at ground level (Oke, 1981). This factor is influenced by urban elements geometry: values close to 1 correspond to a large visible portion, while values close to 0 indicate a limited vision of the sky. The Florence SVF layer is a raster data (Reference System RDN2008 / UTM zone 32N - EPSG: 7791; extent: 673142.13 – 4843854.78; columns number / rows number: 15000 / 12154) with 1 m spatial resolution: it was calculated by the Digital Surface Model (DSM), obtained from the 2017 Lidar dataset. Lidar-DSM layers are available on the OpenData platform of Florence Municipality at the following link: http://dati.toscana.it/dataset/dsm-2017 (accessed on 29/01/2021).
DOI: 10.17188/1207931
title: Materials Data on RbTiZnOF5 by Materials Project

description: RbTiZnOF5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to five F1- atoms to form RbF5 square pyramids that share corners with four equivalent TiO2F4 octahedra and corners with six equivalent ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 64–69°. There are four shorter (3.07 Å) and one longer (3.20 Å) Rb–F bond lengths. Ti4+ is bonded to two equivalent O2- and four equivalent F1- atoms to form TiO2F4 octahedra that share corners with two equivalent TiO2F4 octahedra, corners with four equivalent ZnF6 octahedra, and corners with four equivalent RbF5 square pyramids. The corner-sharing octahedra tilt angles range from 23–48°. Both Ti–O bond lengths are 1.86 Å. All Ti–F bond lengths are 1.96 Å. Zn2+ is bonded to six F1- atoms to form ZnF6 octahedra that share corners with two equivalent ZnF6 octahedra, corners with four equivalent TiO2F4 octahedra, and corners with six equivalent RbF5 square pyramids. The corner-sharing octahedra tilt angles range from 47–48°. There are two shorter (2.00 Å) and four longer (2.10 Å) Zn–F bond lengths. O2- is bonded in a bent 150 degrees geometry to two equivalent Ti4+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Ti4+, and one Zn2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Zn2+ atoms.
DOI: 10.17188/1207939
title: Materials Data on Na3ScF6 by Materials Project

description: Na3ScF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.82 Å. In the second Na1+ site, Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Na–F bond distances ranging from 2.26–2.38 Å. Sc3+ is bonded to six F1- atoms to form ScF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Sc–F bond distances ranging from 2.03–2.05 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Sc3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four Na1+ and one Sc3+ atom. In the third F1- site, F1- is bonded to three Na1+ and one Sc3+ atom to form distorted corner-sharing FNa3Sc tetrahedra.
DOI: 10.17188/1207940
title: Materials Data on Ge2N2O by Materials Project

description: Ge2N2O crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ge4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing GeN3O tetrahedra. There is one shorter (1.84 Å) and two longer (1.85 Å) Ge–N bond length. The Ge–O bond length is 1.78 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ge4+ atoms. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1207941
title: Materials Data on Dy6FeSb2 by Materials Project

description: FeDy6Sb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Dy–Fe bond lengths are 2.83 Å. Both Dy–Sb bond lengths are 3.23 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Dy–Fe bond length is 3.28 Å. All Dy–Sb bond lengths are 3.26 Å. Fe is bonded in a 9-coordinate geometry to nine Dy atoms. Sb is bonded in a 9-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1207942
title: Materials Data on YbB6 by Materials Project

description: YbB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Yb–B bond lengths are 3.04 Å. B is bonded in a 1-coordinate geometry to four equivalent Yb and five equivalent B atoms. There is one shorter (1.66 Å) and four longer (1.74 Å) B–B bond length.
DOI: 10.17188/1207943
title: Materials Data on CaSnO3 by Materials Project

description: CaSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with nine equivalent SnO6 octahedra, edges with three equivalent CaO6 pentagonal pyramids, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 40–63°. There are three shorter (2.31 Å) and three longer (2.49 Å) Ca–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent CaO6 pentagonal pyramids, edges with three equivalent SnO6 octahedra, and a faceface with one CaO6 pentagonal pyramid. There are three shorter (2.09 Å) and three longer (2.15 Å) Sn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+ and two equivalent Sn4+ atoms.
DOI: 10.17188/1207944
title: Materials Data on SrLaNbZnO6 by Materials Project

description: LaSrZnNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All Sr–O bond lengths are 2.86 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent ZnO6 octahedra. All La–O bond lengths are 2.86 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ZnO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 1.99 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent NbO6 octahedra, faces with four equivalent SrO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, one Nb5+, and one Zn2+ atom.
DOI: 10.17188/1207945
title: Materials Data on Ca3AsN by Materials Project

description: Ca3AsN is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to four equivalent As3- and two equivalent N3- atoms. There are a spread of Ca–As bond distances ranging from 3.13–3.62 Å. Both Ca–N bond lengths are 2.41 Å. In the second Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to three equivalent As3- and two equivalent N3- atoms. There are a spread of Ca–As bond distances ranging from 3.07–3.42 Å. Both Ca–N bond lengths are 2.41 Å. As3- is bonded in a 10-coordinate geometry to ten Ca2+ atoms. N3- is bonded to six Ca2+ atoms to form corner-sharing NCa6 octahedra. The corner-sharing octahedra tilt angles range from 12–17°.
DOI: 10.17188/1207946
title: Materials Data on Tm9(FeGe)10 by Materials Project

description: Tm9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.19 Å) Tm–Fe bond lengths. Both Tm–Ge bond lengths are 2.91 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Fe and six Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.87–3.21 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.94 Å) and four longer (3.10 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.81–3.05 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.08 Å) and two longer (3.25 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.91–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Tm, five Fe, and two equivalent Ge atoms. There are four shorter (2.46 Å) and one longer (2.60 Å) Fe–Fe bond lengths. Both Fe–Ge bond lengths are 2.62 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to five Tm, three Fe, and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.76 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.46–2.55 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Tm and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Tm and six Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms.
DOI: 10.17188/1207948
title: Materials Data on Zn(CrS2)2 by Materials Project

description: ZnCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.36 Å. S2- is bonded to three equivalent Cr3+ and one Zn2+ atom to form a mixture of distorted corner and edge-sharing SZnCr3 trigonal pyramids.
DOI: 10.17188/1207949
title: Materials Data on Tm(NiGe)2 by Materials Project

description: TmNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Tm–Ni bond lengths are 3.17 Å. All Tm–Ge bond lengths are 3.11 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.49 Å.
DOI: 10.17188/1207950
title: Materials Data on NdFeSi2 by Materials Project

description: NdFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Nd–Fe bond lengths. There are a spread of Nd–Si bond distances ranging from 3.10–3.20 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Si atoms. There are two shorter (2.26 Å) and two longer (2.30 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.55 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. Both Si–Si bond lengths are 2.39 Å.
DOI: 10.17188/1207951
title: Materials Data on Ag3PO4 by Materials Project

description: Ag3PO4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Ag1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.42 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. O2- is bonded to three equivalent Ag1+ and one P5+ atom to form distorted corner-sharing OAg3P tetrahedra.
DOI: 10.17188/1207952
title: Materials Data on Na2S2O3 by Materials Project

description: Na2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Na2SO3 framework. In the Na2SO3 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.39–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.62 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one S2+ atom to form a mixture of distorted edge and corner-sharing ONa3S tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one S2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one S2+ atom.