cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1698823
title: Materials Data on ZrCl3 by Materials Project

description: ZrCl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one ZrCl3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded to six Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.59 Å. In the second Zr3+ site, Zr3+ is bonded to six Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.59 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Zr3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Zr3+ atoms.
DOI: 10.17188/1698825
title: Materials Data on TlN by Materials Project

description: TlN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Tl–N bond lengths are 2.74 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Tl3+ atoms.
DOI: 10.17188/1698827
title: Materials Data on NdZr6(PO4)9 by Materials Project

description: NdZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.47 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 (2.07 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 23–45°. 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 (1.53 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 Nd3+, 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: 10.17188/1698828
title: Materials Data on Ca3Fe2O7 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: 10.17188/1698829
title: Materials Data on Co4Se3Cl2O9 by Materials Project

description: Co4Se3O9Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co+2.50+ sites. In the first Co+2.50+ site, Co+2.50+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Co–O bond distances ranging from 2.04–2.40 Å. There are one shorter (2.41 Å) and one longer (2.76 Å) Co–Cl bond lengths. In the second Co+2.50+ site, Co+2.50+ is bonded to five O2- and one Cl1- atom to form edge-sharing CoClO5 octahedra. There are a spread of Co–O bond distances ranging from 2.04–2.21 Å. The Co–Cl bond length is 2.45 Å. There are two inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.77 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Co+2.50+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co+2.50+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.50+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co+2.50+ and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded to three Co+2.50+ and one Se+3.33+ atom to form distorted edge-sharing OCo3Se trigonal pyramids. Cl1- is bonded in a 3-coordinate geometry to three Co+2.50+ atoms.
DOI: 10.17188/1698830
title: Materials Data on Eu(AlSe2)2 by Materials Project

description: Eu(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.28 Å) Eu–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent Al3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2Al2 trigonal pyramids.
DOI: 10.17188/1698831
title: Materials Data on Li4Ti3Mn2Sn3O16 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: 10.17188/1698832
title: Materials Data on Ta3Bi by Materials Project

description: Ta3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to eight equivalent Ta and four equivalent Bi atoms to form distorted TaTa8Bi4 cuboctahedra that share corners with twelve equivalent TaTa8Bi4 cuboctahedra, edges with eight equivalent BiTa12 cuboctahedra, edges with sixteen equivalent TaTa8Bi4 cuboctahedra, faces with four equivalent BiTa12 cuboctahedra, and faces with fourteen equivalent TaTa8Bi4 cuboctahedra. All Ta–Ta bond lengths are 3.03 Å. All Ta–Bi bond lengths are 3.03 Å. Bi is bonded to twelve equivalent Ta atoms to form BiTa12 cuboctahedra that share corners with twelve equivalent BiTa12 cuboctahedra, edges with twenty-four equivalent TaTa8Bi4 cuboctahedra, faces with six equivalent BiTa12 cuboctahedra, and faces with twelve equivalent TaTa8Bi4 cuboctahedra.
DOI: 10.17188/1698833
title: Materials Data on Sr4CrN4 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: 10.17188/1698834
title: Materials Data on TmCo4B by Materials Project

description: TmCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Tm–Co bond lengths are 2.86 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Tm–Co bond lengths are 2.87 Å. All Tm–B bond lengths are 2.86 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Co atoms. All Co–Co bond lengths are 2.43 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Tm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Co atoms.
DOI: 10.17188/1698835
title: Materials Data on TaTiW2 by Materials Project

description: TiTaW2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiTaW2 ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent W atoms. Both Ti–W bond lengths are 2.31 Å. Ta is bonded in a linear geometry to two equivalent W atoms. Both Ta–W bond lengths are 2.33 Å. W is bonded in a linear geometry to one Ti and one Ta atom.
DOI: 10.17188/1698837
title: Materials Data on Ba2YV3O8 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: 10.17188/1698838
title: Materials Data on TlFeO3 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: 10.17188/1698839
title: Materials Data on YbP3O10 by Materials Project

description: YbP3O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Yb–O bond distances ranging from 2.26–2.41 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.59 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two P atoms. In the second O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Yb and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Yb and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom.
DOI: 10.17188/1698840
title: Materials Data on Ga9Ir2 by Materials Project

description: Ir2Ga9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.47–2.69 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted linear geometry to two equivalent Ir atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ir atoms.
DOI: 10.17188/1698841
title: Materials Data on FeS2NO8 by Materials Project

description: (Fe(SO4)2)2N2 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one ammonia molecule and one Fe(SO4)2 sheet oriented in the (0, 0, 1) direction. In the Fe(SO4)2 sheet, Fe3+ is bonded to six equivalent O2- atoms to form distorted FeO6 octahedra that share corners with six equivalent SO4 tetrahedra. All Fe–O bond lengths are 2.02 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There is one shorter (1.45 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one S6+ atom.
DOI: 10.17188/1698842
title: Materials Data on Mo3Os3C2 by Materials Project

description: Mo3Os3C2 is H-Phase-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mo+4.67+ sites. In the first Mo+4.67+ site, Mo+4.67+ is bonded in a 3-coordinate geometry to three equivalent Os2- and three equivalent C4- atoms. All Mo–Os bond lengths are 2.80 Å. All Mo–C bond lengths are 2.10 Å. In the second Mo+4.67+ site, Mo+4.67+ is bonded to six equivalent C4- atoms to form edge-sharing MoC6 octahedra. All Mo–C bond lengths are 2.17 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to three equivalent Mo+4.67+ and nine Os2- atoms to form OsMo3Os9 cuboctahedra that share corners with nine equivalent OsMo3Os9 cuboctahedra, corners with six equivalent CMo6 octahedra, edges with fifteen OsMo3Os9 cuboctahedra, faces with twelve OsMo3Os9 cuboctahedra, and a faceface with one CMo6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three shorter (2.73 Å) and six longer (2.89 Å) Os–Os bond lengths. In the second Os2- site, Os2- is bonded to twelve Os2- atoms to form OsOs12 cuboctahedra that share corners with six equivalent OsOs12 cuboctahedra, edges with eighteen OsMo3Os9 cuboctahedra, and faces with eighteen OsMo3Os9 cuboctahedra. All Os–Os bond lengths are 2.89 Å. C4- is bonded to six Mo+4.67+ atoms to form CMo6 octahedra that share corners with six equivalent OsMo3Os9 cuboctahedra, corners with three equivalent CMo6 octahedra, edges with nine equivalent CMo6 octahedra, and a faceface with one OsMo3Os9 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1698843
title: Materials Data on Li4Co5SnO12 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: 10.17188/1698844
title: Materials Data on ZrFe2 by Materials Project

description: ZrFe2 is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to twelve Fe atoms. There are three shorter (2.91 Å) and nine longer (2.93 Å) Zr–Fe bond lengths. In the second Zr site, Zr is bonded in a 12-coordinate geometry to twelve Fe atoms. There are three shorter (2.92 Å) and nine longer (2.93 Å) Zr–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.50 Å. In the third Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.53 Å) Fe–Fe bond lengths.
DOI: 10.17188/1698845
title: Materials Data on NdFeRu by Materials Project

description: NdRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are two shorter (3.11 Å) and four longer (3.12 Å) Nd–Ru bond lengths. There are two shorter (3.11 Å) and four longer (3.21 Å) Nd–Fe bond lengths. Ru is bonded to six equivalent Nd, two equivalent Ru, and four equivalent Fe atoms to form distorted RuNd6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeNd6Fe2Ru4 cuboctahedra, corners with ten equivalent RuNd6Fe4Ru2 cuboctahedra, edges with six equivalent RuNd6Fe4Ru2 cuboctahedra, faces with six equivalent RuNd6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeNd6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.78 Å. All Ru–Fe bond lengths are 2.67 Å. Fe is bonded to six equivalent Nd, four equivalent Ru, and two equivalent Fe atoms to form FeNd6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuNd6Fe4Ru2 cuboctahedra, corners with ten equivalent FeNd6Fe2Ru4 cuboctahedra, edges with six equivalent FeNd6Fe2Ru4 cuboctahedra, faces with six equivalent FeNd6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuNd6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.63 Å.
DOI: 10.17188/1698847
title: Materials Data on CaCeMnO4 by Materials Project

description: CaCeMnO4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.75 Å. Ce4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.21–2.76 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are four shorter (2.01 Å) and two longer (2.17 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are four shorter (1.94 Å) and two longer (2.30 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, one Ce4+, and two Mn2+ atoms. In the second O2- site, O2- is bonded to three equivalent Ca2+, two equivalent Ce4+, and one Mn2+ atom to form a mixture of distorted edge and corner-sharing OCa3Ce2Mn octahedra. The corner-sharing octahedra tilt angles range from 0–16°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ca2+, three equivalent Ce4+, and one Mn2+ atom.
DOI: 10.17188/1698848
title: Materials Data on Ta22W4O67 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: 10.17188/1698849
title: Materials Data on Mo3(NO5)2 by Materials Project

description: Mo3O10N2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight ammonia molecules and two Mo3O10 ribbons oriented in the (0, 0, 1) direction. In each Mo3O10 ribbon, there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.15 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 1.76–2.24 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.
DOI: 10.17188/1698850
title: Materials Data on Sr3(RhN2)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: 10.17188/1698851
title: Materials Data on Zr6MnBi2 by Materials Project

description: Zr6MnBi2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Mn and two equivalent Bi atoms. Both Zr–Mn bond lengths are 2.64 Å. Both Zr–Bi bond lengths are 3.11 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to one Mn and four equivalent Bi atoms. The Zr–Mn bond length is 3.11 Å. All Zr–Bi bond lengths are 3.08 Å. Mn is bonded in a 9-coordinate geometry to nine Zr atoms. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.
DOI: 10.17188/1698852
title: Materials Data on Zn4Si2H2O9 by Materials Project

description: Zn4Si2O7(OH)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.00 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with four ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.01 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with six ZnO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are two 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 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Zn2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Zn2+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.