cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1705304
title: Materials Data on MnV4Fe(Pb2O9)2 by Materials Project

description: V4MnFe(Pb2O9)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one MnO6 octahedra and a cornercorner with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are a spread of V–O bond distances ranging from 1.69–1.79 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one MnO6 octahedra and a cornercorner with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent FeO6 octahedra. There is four shorter (1.93 Å) and two longer (1.96 Å) Mn–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–2.13 Å. There are two inequivalent Pb+2.50+ sites. In the first Pb+2.50+ site, Pb+2.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.74 Å. In the second Pb+2.50+ site, Pb+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.81 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb+2.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb+2.50+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Mn3+, and one Pb+2.50+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Fe3+, and one Pb+2.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb+2.50+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Mn3+, one Fe3+, and one Pb+2.50+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Mn3+, and one Fe3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb+2.50+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb+2.50+ atoms.
DOI: 10.17188/1705305
title: Materials Data on SrCa3Mn4O10 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: 10.17188/1705306
title: Materials Data on Sm2Ta3(SO4)2 by Materials Project

description: Sm2Ta3(SO4)2 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. Sm+2.50+ is bonded in a 9-coordinate geometry to two equivalent S2- and seven O2- atoms. There are one shorter (2.97 Å) and one longer (3.04 Å) Sm–S bond lengths. There are a spread of Sm–O bond distances ranging from 2.42–2.58 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.86–2.36 Å. In the second Ta5+ site, Ta5+ is bonded to four equivalent S2- and two equivalent O2- atoms to form distorted edge-sharing TaS4O2 octahedra. There are two shorter (2.56 Å) and two longer (2.58 Å) Ta–S bond lengths. Both Ta–O bond lengths are 1.98 Å. S2- is bonded in a 4-coordinate geometry to two equivalent Sm+2.50+ and two equivalent Ta5+ atoms. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm+2.50+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm+2.50+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm+2.50+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sm+2.50+ and two equivalent Ta5+ atoms.
DOI: 10.17188/1705307
title: Materials Data on CdSnAu by Materials Project

description: AuCdSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Sn atoms. All Au–Cd bond lengths are 2.88 Å. All Au–Sn bond lengths are 2.88 Å. Cd is bonded to four equivalent Au and six equivalent Sn atoms to form distorted CdSn6Au4 tetrahedra that share corners with four equivalent SnCd6Au4 tetrahedra, corners with six equivalent CdSn6Au4 tetrahedra, edges with six equivalent SnCd6Au4 tetrahedra, and faces with twelve equivalent CdSn6Au4 tetrahedra. All Cd–Sn bond lengths are 3.32 Å. Sn is bonded to four equivalent Au and six equivalent Cd atoms to form distorted SnCd6Au4 tetrahedra that share corners with four equivalent CdSn6Au4 tetrahedra, corners with six equivalent SnCd6Au4 tetrahedra, edges with six equivalent CdSn6Au4 tetrahedra, and faces with twelve equivalent SnCd6Au4 tetrahedra.
DOI: 10.17188/1705308
title: Materials Data on LiMgAlF6 by Materials Project

description: LiMgAlF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with six equivalent MgF6 octahedra, and edges with two equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Li–F bond distances ranging from 1.98–2.15 Å. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with four equivalent AlF6 octahedra, corners with six equivalent LiF6 octahedra, and an edgeedge with one AlF6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are two shorter (2.00 Å) and four longer (2.06 Å) Mg–F bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent LiF6 octahedra and edges with three equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Al–F bond lengths are 1.83 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with six equivalent MgF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. All Al–F bond lengths are 1.83 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Mg2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Mg2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Mg2+, and one Al3+ atom.
DOI: 10.17188/1705309
title: Materials Data on K2LiLaCl6 by Materials Project

description: K2LiLaCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent LaCl6 octahedra. All K–Cl bond lengths are 3.77 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.57 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.76 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one La3+ atom.
DOI: 10.17188/1705311
title: Materials Data on CoAg(PO3)3 by Materials Project

description: CoAg(PO3)3 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.06–2.16 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 2.08–2.14 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.77 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There is two shorter (1.50 Å) and two longer (1.62 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Co2+, one Ag1+, and one P5+ atom.
DOI: 10.17188/1705312
title: Materials Data on Fe6O5F7 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: 10.17188/1705313
title: Materials Data on LuBeNF6 by Materials Project

description: BeLuNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) Be–F bond length. Lu3+ is bonded in a 6-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.08–2.69 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.56 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Lu3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Be2+ and one Lu3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Be2+ and one Lu3+ atom.
DOI: 10.17188/1705314
title: Materials Data on MnV2Fe by Materials Project

description: V2MnFe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Fe atoms. All V–Mn bond lengths are 2.49 Å. All V–Fe bond lengths are 2.49 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Fe atoms. All Mn–Fe bond lengths are 2.88 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Mn atoms.
DOI: 10.17188/1705315
title: Materials Data on La2AgS2O by Materials Project

description: La2AgS2O crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one La2AgS2O ribbon oriented in the (0, 0, 1) direction. La+2.50+ is bonded in a linear geometry to one S2- and one O2- atom. The La–S bond length is 2.50 Å. The La–O bond length is 2.14 Å. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.35 Å. S2- is bonded in a linear geometry to one La+2.50+ and one Ag1+ atom. O2- is bonded in a linear geometry to two equivalent La+2.50+ atoms.
DOI: 10.17188/1705316
title: Materials Data on TiOF2 by Materials Project

description: TiOF2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti4+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ti–O bond lengths are 1.85 Å. All Ti–F bond lengths are 1.97 Å. O2- is bonded in a linear geometry to two equivalent Ti4+ atoms. F1- is bonded in a linear geometry to two equivalent Ti4+ atoms.
DOI: 10.17188/1705318
title: Materials Data on Ca4Mn3SbO12 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: 10.17188/1705319
title: Materials Data on MgZn3 by Materials Project

description: MgZn3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Zn atoms to form MgZn12 cuboctahedra that share corners with four equivalent MgZn12 cuboctahedra, corners with eight equivalent ZnMg4Zn8 cuboctahedra, edges with eight equivalent MgZn12 cuboctahedra, edges with sixteen equivalent ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with fourteen ZnMg4Zn8 cuboctahedra. There are eight shorter (2.83 Å) and four longer (2.91 Å) Mg–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Mg and eight equivalent Zn atoms to form ZnMg4Zn8 cuboctahedra that share corners with four equivalent ZnMg4Zn8 cuboctahedra, corners with eight equivalent MgZn12 cuboctahedra, edges with twenty-four ZnMg4Zn8 cuboctahedra, faces with six equivalent MgZn12 cuboctahedra, and faces with twelve ZnMg4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.83 Å. In the second Zn site, Zn is bonded to four equivalent Mg and eight Zn atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with twelve equivalent ZnMg4Zn8 cuboctahedra, edges with eight equivalent MgZn12 cuboctahedra, edges with sixteen ZnMg4Zn8 cuboctahedra, faces with four equivalent MgZn12 cuboctahedra, and faces with fourteen ZnMg4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.91 Å.
DOI: 10.17188/1705320
title: Materials Data on Li2CrNiO4 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: 10.17188/1705321
title: Materials Data on SmFeSb3 by Materials Project

description: SmFeSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Sm–Sb bond distances ranging from 3.21–3.43 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Sm–Sb bond distances ranging from 3.20–3.33 Å. Fe3+ is bonded to six Sb2- atoms to form a mixture of edge, face, and corner-sharing FeSb6 octahedra. The corner-sharing octahedra tilt angles range from 42–43°. There are a spread of Fe–Sb bond distances ranging from 2.59–2.69 Å. There are five inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four Sm3+ and two equivalent Fe3+ atoms. In the second Sb2- site, Sb2- is bonded in a 5-coordinate geometry to one Sm3+, four equivalent Fe3+, and one Sb2- atom. The Sb–Sb bond length is 3.10 Å. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to one Sm3+ and four equivalent Fe3+ atoms. In the fourth Sb2- site, Sb2- is bonded in a 7-coordinate geometry to four Sm3+, two equivalent Fe3+, and one Sb2- atom. In the fifth Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four Sm3+ and four equivalent Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 3.02–3.08 Å.
DOI: 10.17188/1705322
title: Materials Data on K3YSi3O10 by Materials Project

description: K3YSi3O10 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.68–3.21 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.72–3.29 Å. Y is bonded to six O atoms to form YO6 octahedra that share corners with six SiO4 tetrahedra. There are four shorter (2.25 Å) and two longer (2.36 Å) Y–O bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent YO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent YO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 6–51°. There are a spread of Si–O bond distances ranging from 1.61–1.68 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four K, one Y, and one Si atom. In the second O site, O is bonded in a 1-coordinate geometry to three K, one Y, and one Si atom. In the third O site, O is bonded in a single-bond geometry to four K and one Si atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Y, and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one K and two Si atoms. In the sixth O site, O is bonded in a 1-coordinate geometry to two K, one Y, and one Si atom.
DOI: 10.6084/m9.figshare.13680583
title: Ecosystem engineer pest data.xlsx

description: A dataset for a systematic review examining the roles of terrestrial ecosystem engineering vertebrates as economic pests, and what methods are used to control damage
DOI: 10.6084/m9.figshare.13680583.v1
title: Ecosystem engineer pest data.xlsx

description: A dataset for a systematic review examining the roles of terrestrial ecosystem engineering vertebrates as economic pests, and what methods are used to control damage
DOI: 10.17188/1705323
title: Materials Data on Ti2P3H7NO13 by Materials Project

description: Ti2P3H3O13NH4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four ammonium molecules and one Ti2P3H3O13 framework. In the Ti2P3H3O13 framework, there are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.97 Å) and three longer (2.02 Å) Ti–O bond length. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (1.96 Å) and three longer (2.06 Å) Ti–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TiO6 octahedra. The corner-sharing octahedra tilt angles range from 12–49°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.66 Å) H–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti+3.50+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti+3.50+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti+3.50+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Ti+3.50+ and one P5+ atom.
DOI: 10.17188/1705324
title: Materials Data on ZnP2H13C2(N3O4)2 by Materials Project

description: ZnP2HO8(CN3H6)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of eight guanidinium molecules and one ZnP2HO8 framework. In the ZnP2HO8 framework, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–1.97 Å. 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 two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.41 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one P5+ atom.