cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1285074
title: Materials Data on Cs3TbF6 by Materials Project

description: Cs3TbF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent TbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.84 Å. In the second Cs1+ site, Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent TbF6 octahedra. All Cs–F bond lengths are 3.58 Å. Tb3+ is bonded to six equivalent F1- atoms to form TbF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–F bond lengths are 2.21 Å. F1- is bonded in a distorted linear geometry to five Cs1+ and one Tb3+ atom.
DOI: 10.17188/1285075
title: Materials Data on Sr(H2N)2 by Materials Project

description: Sr(NH2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are two shorter (2.65 Å) and four longer (2.76 Å) Sr–N bond lengths. N3- is bonded in a distorted water-like geometry to three equivalent Sr2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1285077
title: Materials Data on KGaH4 by Materials Project

description: KGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of K–H bond distances ranging from 2.76–2.97 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Ga–H bond distances ranging from 1.58–1.61 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one K1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ga3+ atom.
DOI: 10.17188/1285078
title: Materials Data on CsH2CO3 by Materials Project

description: CsCH2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (3.10 Å) and one longer (3.33 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.18–3.40 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Cs1+ and two H1+ atoms.
DOI: 10.17188/1285079
title: Materials Data on CsH(CO2)2 by Materials Project

description: CsH(CO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to two equivalent H1+ and nine O2- atoms. There are one shorter (3.23 Å) and one longer (3.27 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.08–3.74 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. H1+ is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two O2- atoms. There is one shorter (1.13 Å) and one longer (1.32 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one C3+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one C3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one C3+ atom.
DOI: 10.17188/1285080
title: Materials Data on NaPH5C2SN3O4 by Materials Project

description: NaC2PN3H5SO4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one NaC2PN3H5SO4 ribbon oriented in the (0, 1, 0) direction. Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share a cornercorner with one PSN2O tetrahedra. There are a spread of Na–O bond distances ranging from 2.44–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.35 Å) and one longer (1.38 Å) C–N bond length. The C–O bond length is 1.26 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.36 Å) and one longer (1.38 Å) C–N bond length. The C–O bond length is 1.25 Å. P5+ is bonded to two N3-, one S2-, and one O2- atom to form distorted PSN2O tetrahedra that share a cornercorner with one NaO4 trigonal pyramid. There is one shorter (1.71 Å) and one longer (1.72 Å) P–N bond length. The P–S bond length is 1.95 Å. The P–O bond length is 1.53 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+, one P5+, and one H1+ atom. The N–H bond length is 1.04 Å. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one C4+, one P5+, and one H1+ atom. The N–H bond length is 1.04 Å. In the third N3- site, N3- is bonded in a trigonal planar geometry to two C4+ and one H1+ atom. The N–H bond length is 1.04 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. 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 1.00 Å. S2- is bonded in a single-bond geometry to one P5+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one C4+ atom.
DOI: 10.17188/1285081
title: Materials Data on NaPH3C2N3O4 by Materials Project

description: NaC2PN3HO4H2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen molecules and one NaC2PN3HO4 framework. In the NaC2PN3HO4 framework, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent PN2O2 tetrahedra and an edgeedge with one NaO5 square pyramid. There are a spread of Na–O bond distances ranging from 2.30–2.65 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a 3-coordinate geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.42 Å) C–N bond length. The C–O bond length is 1.21 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.35 Å) and one longer (1.46 Å) C–N bond length. The C–O bond length is 1.23 Å. P5+ is bonded to two N3- and two O2- atoms to form PN2O2 tetrahedra that share corners with three equivalent NaO5 square pyramids. There is one shorter (1.72 Å) and one longer (1.74 Å) P–N bond length. Both P–O bond lengths are 1.50 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+, one P5+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two C4+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one C4+ and one P5+ atom. H1+ is bonded in a single-bond geometry to one N3- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one C4+ atom.
DOI: 10.17188/1285082
title: Materials Data on AgP2H8SN7O2 by Materials Project

description: AgP2N7H8SO2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two AgP2N7H8SO2 ribbons oriented in the (0, 0, 1) direction. Ag1+ is bonded in a distorted linear geometry to two N+1.86- atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) Ag–N bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N+1.86- atoms to form PN4 tetrahedra that share a cornercorner with one PN4 tetrahedra and a cornercorner with one SN2O2 tetrahedra. There are a spread of P–N bond distances ranging from 1.62–1.67 Å. In the second P5+ site, P5+ is bonded to four N+1.86- atoms to form PN4 tetrahedra that share a cornercorner with one PN4 tetrahedra and a cornercorner with one SN2O2 tetrahedra. There are a spread of P–N bond distances ranging from 1.56–1.73 Å. There are seven inequivalent N+1.86- sites. In the first N+1.86- site, N+1.86- is bonded in a distorted trigonal planar geometry to one Ag1+, one P5+, and one S2- atom. The N–S bond length is 1.65 Å. In the second N+1.86- site, N+1.86- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one P5+, and one S2- atom. The N–S bond length is 1.62 Å. In the third N+1.86- site, N+1.86- is bonded in a distorted trigonal planar geometry to two P5+ and one H1+ atom. The N–H bond length is 1.02 Å. In the fourth N+1.86- site, N+1.86- is bonded in a trigonal planar geometry to one P5+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.06 Å) N–H bond length. In the fifth N+1.86- site, N+1.86- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H1+ atom. The N–H bond length is 1.02 Å. In the sixth N+1.86- site, N+1.86- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the seventh N+1.86- site, N+1.86- is bonded in a distorted trigonal planar geometry to one P5+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. S2- is bonded to two N+1.86- and two O2- atoms to form SN2O2 tetrahedra that share corners with two PN4 tetrahedra. There is one shorter (1.45 Å) and one longer (1.47 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 S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.
DOI: 10.17188/1285083
title: Materials Data on Sn2H2SO5F2 by Materials Project

description: Sn2H2SO5F2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to two O2- and three F1- atoms. There are one shorter (2.23 Å) and one longer (2.41 Å) Sn–O bond lengths. There are a spread of Sn–F bond distances ranging from 2.36–2.52 Å. In the second Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to two O2- and two F1- atoms. There are one shorter (2.35 Å) and one longer (2.60 Å) Sn–O bond lengths. There are one shorter (2.16 Å) and one longer (2.24 Å) Sn–F bond lengths. 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 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sn2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one S6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms.
DOI: 10.17188/1285084
title: Materials Data on Zr2H16SN3(O2F3)3 by Materials Project

description: Zr2H4S(O2F3)3(NH4)3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of twelve ammonium molecules and one Zr2H4S(O2F3)3 sheet oriented in the (0, 0, 1) direction. In the Zr2H4S(O2F3)3 sheet, Zr4+ is bonded in a 8-coordinate geometry to one O2- and seven F1- atoms. The Zr–O bond length is 2.27 Å. There are a spread of Zr–F bond distances ranging from 2.01–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the second 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 tetrahedral geometry to four O2- atoms. There is three shorter (1.49 Å) and one longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zr4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom.
DOI: 10.17188/1285085
title: Materials Data on K6BiH3(Cl2F)4 by Materials Project

description: K6BiH3(Cl2F)4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form KCl6 octahedra that share edges with two equivalent BiCl6 octahedra and edges with four equivalent KCl6 octahedra. There are a spread of K–Cl bond distances ranging from 3.08–3.36 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to six Cl1- and two equivalent F1- atoms. There are a spread of K–Cl bond distances ranging from 3.25–3.37 Å. Both K–F bond lengths are 2.73 Å. Bi3+ is bonded to six Cl1- atoms to form BiCl6 octahedra that share edges with six equivalent KCl6 octahedra. There are three shorter (2.73 Å) and three longer (2.75 Å) Bi–Cl bond lengths. H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.01 Å) and one longer (1.40 Å) H–F bond length. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six K1+ atoms to form distorted ClK6 octahedra that share corners with three equivalent ClK6 octahedra, corners with six equivalent ClK4Bi square pyramids, edges with nine ClK4Bi square pyramids, and a faceface with one ClK6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Cl1- site, Cl1- is bonded to six K1+ atoms to form ClK6 octahedra that share corners with three equivalent ClK6 octahedra, corners with six equivalent ClK4Bi square pyramids, edges with nine ClK4Bi square pyramids, and a faceface with one ClK6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Cl1- site, Cl1- is bonded to four K1+ and one Bi3+ atom to form distorted ClK4Bi square pyramids that share corners with two equivalent ClK6 octahedra, corners with seven ClK4Bi square pyramids, edges with three ClK6 octahedra, and edges with five ClK4Bi square pyramids. The corner-sharing octahedral tilt angles are 37°. In the fourth Cl1- site, Cl1- is bonded to four K1+ and one Bi3+ atom to form distorted ClK4Bi square pyramids that share corners with two equivalent ClK6 octahedra, corners with seven ClK4Bi square pyramids, edges with three ClK6 octahedra, and edges with five ClK4Bi square pyramids. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent H1+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one H1+ atom.
DOI: 10.17188/1285086
title: Materials Data on CuH12N2(OF2)2 by Materials Project

description: CuN2H12(OF2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cu2+ is bonded in an octahedral geometry to two equivalent O2- and four F1- atoms. Both Cu–O bond lengths are 1.96 Å. There are two shorter (1.96 Å) and two longer (2.42 Å) Cu–F bond lengths. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.04–1.06 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.62 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.64 Å. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.64 Å. In the sixth H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.54 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two H1+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent H1+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two H1+ atoms.
DOI: 10.17188/1285087
title: Materials Data on SrZnP2(HO4)2 by Materials Project

description: SrZnP2(HO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrZnP2(HO4)2 sheet oriented in the (1, 0, 0) direction. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.81 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four PHO3 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.93–1.98 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one H1+ and three O2- atoms to form distorted PHO3 tetrahedra that share corners with two equivalent ZnO4 tetrahedra. The P–H bond length is 1.40 Å. There is two shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the second P5+ site, P5+ is bonded to one H1+ and three O2- atoms to form distorted PHO3 tetrahedra that share corners with two equivalent ZnO4 tetrahedra. The P–H bond length is 1.40 Å. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P5+ atom. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, 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 distorted bent 120 degrees geometry to one Zn2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+, one Zn2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ atom.