cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730563
title: Materials Data on Y3Ir by Materials Project

description: Y3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.77 Å) and one longer (2.87 Å) Y–Ir bond lengths. In the second Y site, Y is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Y–Ir bond distances ranging from 2.87–3.25 Å. Ir is bonded in a 6-coordinate geometry to eight Y atoms.
DOI: 10.17188/1730564
title: Materials Data on MgH16(ClO4)2 by Materials Project

description: Mg(H2O)6(H2O)2Cl2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules, four magnesium;hexahydrate molecules, and eight water molecules.
DOI: 10.17188/1730565
title: Materials Data on Lu13Zn58 by Materials Project

description: Lu13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 2.85–3.46 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 3.00–3.28 Å. In the third Lu site, Lu is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 2.93–3.21 Å. In the fourth Lu site, Lu is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Lu–Zn bond distances ranging from 2.98–3.18 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.50–2.62 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Lu and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Lu and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.66 Å. In the fourth Zn site, Zn is bonded to two equivalent Lu and ten Zn atoms to form face-sharing ZnLu2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.71 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Lu and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.73 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Lu and six Zn atoms. There are two shorter (2.55 Å) and two longer (2.85 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 2-coordinate geometry to three Lu and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Lu and seven Zn atoms. There are one shorter (2.97 Å) and one longer (3.05 Å) Zn–Zn bond lengths. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Lu and nine Zn atoms. There are one shorter (2.59 Å) and two longer (2.78 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Lu and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Lu and nine Zn atoms to form face-sharing ZnLu3Zn9 cuboctahedra.
DOI: 10.17188/1730566
title: Materials Data on RhSCl5 by Materials Project

description: RhCl3SCl2 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve sulfur dichloride molecules and two RhCl3 clusters. In each RhCl3 cluster, there are six inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.33–2.45 Å. In the second Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the third Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the fourth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.33–2.45 Å. In the fifth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the sixth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. There are eighteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the sixth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the eleventh Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the twelfth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the thirteenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fourteenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fifteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the sixteenth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the seventeenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the eighteenth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms.
DOI: 10.17188/1730567
title: Materials Data on LiVPO5 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: 10.17188/1730568
title: Materials Data on MnOF 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: 10.5281/zenodo.4486136
title: Continental Europe Digital Terrain Model geomorphometry derivatives at 30 m, 100 m and 250 m

description: Digital Terrain Model geomorphometry derivatives based on the DTM for Continental Europe using the EPSG:3035 projection system. Processed using SAGA GIS, GRASS 7 GIS and GDAL at 3 standard spatial resolutions: 30-m, 100-m and 250-m. Derivatives include: devmean = deviation from mean value derived using SAGA GIS, downlocal / down = downslope local and general curvature derived using SAGA GIS, hillshade = hillshading derived using using GDAL gdaldem functions, mnr = Module Melton Ruggedness Number derived using SAGA GIS, northerness/easterness = derived using GRASS 7 GIS, openp / openn = openness positive negative derived using SAGA GIS, slope = slope in percent derived using GDAL gdaldem functions, topidx = a topographic index (wetness index) derived using GRASS 7 GIS, tpi = Topographic Wetness Index derived using SAGA GIS, vbf = Multiresolution Index of Valley Bottom Flatness derived using SAGA GIS, Detailed processing steps can be found <strong>here</strong>. Read more about the processing steps <strong>here</strong>. Derivatives were chosen aiming to support soil and vegetation mapping projects. The slope.percent map at 30-m has been converted from 0-100% scale to 0-200% to decrease the file size.
description: This work has received funding from the European Union's the Innovation and Networks Executive Agency (INEA) under Grant Agreement Connecting Europe Facility (CEF) Telecom project 2018-EU-IA-0095 (https://ec.europa.eu/inea/en/connecting-europe-facility/cef-telecom/2018-eu-ia-0095).
DOI: 10.17188/1730570
title: Materials Data on Re2Sb4O13 by Materials Project

description: Sb4Re2O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two rhenium;tetrahydrate molecules and one ReSb4O9 sheet oriented in the (0, 1, 0) direction. In the ReSb4O9 sheet, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.77 Å) Re–O bond length. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.15 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.16 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.64 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.07 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Sb3+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.17188/1730571
title: Materials Data on Ce(Cu2P)2 by Materials Project

description: Ce(Cu2P)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to eleven Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.07–3.38 Å. There are a spread of Ce–P bond distances ranging from 2.88–3.04 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to ten Cu and six P atoms. There are a spread of Ce–Cu bond distances ranging from 3.09–3.27 Å. There are four shorter (2.93 Å) and two longer (2.96 Å) Ce–P bond lengths. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to one Ce, nine Cu, and two equivalent P atoms. There are a spread of Cu–Cu bond distances ranging from 2.39–2.72 Å. Both Cu–P bond lengths are 2.45 Å. In the second Cu site, Cu is bonded in a distorted water-like geometry to two equivalent Ce, four equivalent Cu, and two P atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) Cu–P bond lengths. In the third Cu site, Cu is bonded to five Ce, two equivalent Cu, and four P atoms to form a mixture of distorted edge, face, and corner-sharing CuCe5Cu2P4 tetrahedra. Both Cu–Cu bond lengths are 2.79 Å. There are a spread of Cu–P bond distances ranging from 2.39–2.45 Å. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three Ce, one Cu, and three P atoms. There are two shorter (2.40 Å) and one longer (2.52 Å) Cu–P bond lengths. In the fifth Cu site, Cu is bonded in a 3-coordinate geometry to two Ce, four Cu, and three P atoms. Both Cu–Cu bond lengths are 2.76 Å. There are one shorter (2.33 Å) and two longer (2.41 Å) Cu–P bond lengths. In the sixth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Ce, five Cu, and four P atoms. There are a spread of Cu–P bond distances ranging from 2.32–2.58 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Cu atoms. In the second P site, P is bonded in a 9-coordinate geometry to three Ce and six Cu atoms. In the third P site, P is bonded in a 9-coordinate geometry to four Ce and five Cu atoms.
DOI: 10.17188/1730572
title: Materials Data on Yb2CO7 by Materials Project

description: Yb2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.30–2.78 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.28–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the second O site, O is bonded in a water-like geometry to one Yb and one C atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Yb atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Yb atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Yb and one C atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two Yb and one C atom. In the seventh O site, O is bonded in a 2-coordinate geometry to three Yb atoms.
DOI: 10.17188/1730573
title: Materials Data on BaP3HNO9 by Materials Project

description: (BaP3NO9)2H2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen molecules and one BaP3NO9 framework. In the BaP3NO9 framework, Ba2+ is bonded to six O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with six PO4 tetrahedra and an edgeedge with one BaO6 pentagonal pyramid. There are a spread of Ba–O bond distances ranging from 2.58–2.84 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one BaO6 pentagonal pyramid and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.47–1.65 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent BaO6 pentagonal pyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.68 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent BaO6 pentagonal pyramids and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.48–1.67 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.34 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P+4.67+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and one P+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and one P+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one P+4.67+ and one N1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one P+4.67+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one P+4.67+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms.
DOI: 10.17188/1730574
title: Materials Data on Sm2MgS4 by Materials Project

description: MgSm2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.62 Å) and four longer (3.19 Å) Mg–S bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Sm–S bond distances ranging from 2.75–3.17 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent Sm3+ atoms.
DOI: 10.17188/1730576
title: Materials Data on BaBClF4 by Materials Project

description: BaClBF4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to four equivalent Cl1- and seven F1- atoms. There are three shorter (3.17 Å) and one longer (3.22 Å) Ba–Cl bond lengths. There are a spread of Ba–F bond distances ranging from 2.77–3.11 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.43 Å. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and three F1- atoms. There are one shorter (3.27 Å) and two longer (3.37 Å) Cl–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Ba2+, one B3+, and one Cl1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Ba2+, one B3+, and one Cl1- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ba2+ and one B3+ atom.
DOI: 10.17188/1730577
title: Materials Data on CuN2(Cl2O)2 by Materials Project

description: CuN2(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. N3+ is bonded in a rectangular see-saw-like geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 2.29 Å. O2- is bonded in a distorted single-bond geometry to one Cu2+ and four equivalent Cl1- atoms. There are two shorter (2.13 Å) and two longer (2.46 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to two equivalent N3+ and two equivalent O2- atoms.
DOI: 10.17188/1730578
title: Materials Data on LiCoSnO4 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: 10.17188/1730579
title: Materials Data on Li3Ni4SbO8 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: 10.17188/1730580
title: Materials Data on CdCu(SeO3)2 by Materials Project

description: CdCu(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 trigonal bipyramids. There are a spread of Cu–O bond distances ranging from 1.95–2.40 Å. Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.85 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.76 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+, one Cd2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+, one Cd2+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cd2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Cu2+, one Cd2+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom.
DOI: 10.17188/1730581
title: Materials Data on Ca10Ag(PO4)7 by Materials Project

description: AgCa10(PO4)7 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.27 Å) and three longer (2.30 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.92 Å. In the third 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 2.34–2.89 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–3.02 Å. Ag1+ is bonded in a distorted trigonal planar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.47 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. All P–O bond lengths are 1.56 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CaO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CaO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two Ca2+, one Ag1+, and one P5+ atom.