cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1267619
title: Materials Data on Ba2LaAg5S6 by Materials Project

description: Ba2LaAg5S6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to seven S2- atoms to form distorted BaS7 pentagonal bipyramids that share corners with two equivalent LaS6 octahedra, corners with three equivalent AgS4 tetrahedra, corners with two equivalent AgS4 trigonal pyramids, edges with three equivalent LaS6 octahedra, edges with two equivalent BaS7 pentagonal bipyramids, edges with three equivalent AgS4 tetrahedra, edges with three equivalent AgS4 trigonal pyramids, and faces with two equivalent BaS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 21°. There are a spread of Ba–S bond distances ranging from 3.22–3.32 Å. La3+ is bonded to six S2- atoms to form LaS6 octahedra that share corners with four equivalent BaS7 pentagonal bipyramids, corners with two equivalent AgS4 trigonal pyramids, edges with two equivalent LaS6 octahedra, edges with six equivalent BaS7 pentagonal bipyramids, and edges with four equivalent AgS4 tetrahedra. There are two shorter (2.90 Å) and four longer (2.93 Å) La–S bond lengths. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form distorted AgS4 trigonal pyramids that share a cornercorner with one LaS6 octahedra, corners with two equivalent BaS7 pentagonal bipyramids, corners with five equivalent AgS4 tetrahedra, corners with two equivalent AgS4 trigonal pyramids, edges with three equivalent BaS7 pentagonal bipyramids, and edges with two equivalent AgS4 trigonal pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Ag–S bond distances ranging from 2.60–2.91 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form distorted AgS4 tetrahedra that share corners with three equivalent BaS7 pentagonal bipyramids, corners with two equivalent AgS4 tetrahedra, corners with five equivalent AgS4 trigonal pyramids, edges with two equivalent LaS6 octahedra, and edges with three equivalent BaS7 pentagonal bipyramids. There are a spread of Ag–S bond distances ranging from 2.59–2.74 Å. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+, one La3+, and three Ag1+ atoms to form a mixture of edge and corner-sharing SBa2LaAg3 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. In the second S2- site, S2- is bonded in a 7-coordinate geometry to two equivalent Ba2+ and five Ag1+ atoms. In the third S2- site, S2- is bonded to three equivalent Ba2+, two equivalent La3+, and one Ag1+ atom to form a mixture of distorted edge and corner-sharing SBa3La2Ag octahedra. The corner-sharing octahedra tilt angles range from 0–26°.
DOI: 10.17188/1267620
title: Materials Data on Zr2SN2 by Materials Project

description: Zr2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are three shorter (2.15 Å) and one longer (2.20 Å) Zr–N bond lengths. All Zr–S bond lengths are 2.84 Å. N3- is bonded to four equivalent Zr4+ atoms to form NZr4 tetrahedra that share corners with six equivalent SZr6 octahedra, corners with six equivalent NZr4 tetrahedra, edges with three equivalent SZr6 octahedra, and edges with three equivalent NZr4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–48°. S2- is bonded to six equivalent Zr4+ atoms to form distorted SZr6 octahedra that share corners with twelve equivalent NZr4 tetrahedra, edges with six equivalent SZr6 octahedra, and edges with six equivalent NZr4 tetrahedra.
DOI: 10.17188/1267621
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. All S–Zn bond lengths are 2.36 Å. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fourth S2- site, S2- is bonded to four equivalent Zn2+ atoms to form corner-sharing SZn4 tetrahedra.
DOI: 10.17188/1267622
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 trigonal pyramids. There is three shorter (1.66 Å) and one longer (1.67 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.
DOI: 10.17188/1267623
title: Materials Data on Ba5Si(Br3O2)2 by Materials Project

description: Ba5SiO4Br6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to three O2- and six Br1- atoms. There are a spread of Ba–O bond distances ranging from 2.66–2.96 Å. There are a spread of Ba–Br bond distances ranging from 3.29–3.86 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to two equivalent O2- and six Br1- atoms. Both Ba–O bond lengths are 2.69 Å. There are a spread of Ba–Br bond distances ranging from 3.20–3.46 Å. In the third Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to two O2- and seven Br1- atoms. There are one shorter (2.64 Å) and one longer (2.74 Å) Ba–O bond lengths. There are a spread of Ba–Br bond distances ranging from 3.24–3.87 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+ and one Si4+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six Ba2+ atoms to form distorted corner-sharing BrBa6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four Ba2+ atoms. In the third Br1- site, Br1- is bonded in a 5-coordinate geometry to five Ba2+ atoms. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to six Ba2+ atoms.
DOI: 10.17188/1267624
title: Materials Data on CuSb2H12(O3F4)2 by Materials Project

description: CuSb2H12(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.98–2.52 Å. Sb3+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.96–2.65 Å. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.68 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cu2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Cu2+ and three H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Sb3+ and one H1+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sb3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.
DOI: 10.17188/1267626
title: Materials Data on K3MoF6 by Materials Project

description: K3MoF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent MoF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.51 Å. In the second K1+ site, K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent KF6 octahedra, and faces with four equivalent MoF6 octahedra. All K–F bond lengths are 3.26 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.09 Å. F1- is bonded in a distorted linear geometry to five K1+ and one Mo3+ atom.
DOI: 10.17188/1267628
title: Materials Data on GePbO3 by Materials Project

description: PbGeO3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.51 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–3.04 Å. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–3.11 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.73–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pb2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Pb2+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Pb2+ and one Ge4+ atom.
DOI: 10.17188/1267629
title: Materials Data on H6RuN3Cl3O by Materials Project

description: RuN3H6OCl3 is alpha U structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four RuN3H6OCl3 clusters. Ru2+ is bonded in an octahedral geometry to three N1- and three Cl1- atoms. There are a spread of Ru–N bond distances ranging from 1.74–2.14 Å. There are a spread of Ru–Cl bond distances ranging from 2.37–2.42 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a linear geometry to one Ru2+ and one O2- atom. The N–O bond length is 1.17 Å. In the second N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Ru2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N1- site, N1- is bonded in a distorted trigonal non-coplanar geometry to one Ru2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a single-bond geometry to one N1- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru2+ atom.
DOI: 10.17188/1267632
title: Materials Data on Tl2(SeO3)3 by Materials Project

description: Tl2(SeO3)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two Tl2(SeO3)3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six O2- atoms to form corner-sharing TlO6 octahedra. There are a spread of Tl–O bond distances ranging from 2.22–2.40 Å. In the second Tl1+ site, Tl1+ is bonded to seven O2- atoms to form distorted TlO7 pentagonal bipyramids that share corners with three equivalent TlO6 octahedra and corners with two equivalent TlO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of Tl–O bond distances ranging from 2.23–2.69 Å. There are three inequivalent Se+5.33+ sites. In the first Se+5.33+ site, Se+5.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.77 Å) Se–O bond length. In the second Se+5.33+ site, Se+5.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. In the third Se+5.33+ site, Se+5.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl1+ and one Se+5.33+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl1+ and one Se+5.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and one Se+5.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Tl1+ and one Se+5.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and one Se+5.33+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and one Se+5.33+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one Tl1+ and one Se+5.33+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one Tl1+ and one Se+5.33+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tl1+ and one Se+5.33+ atom.
DOI: 10.17188/1267633
title: Materials Data on NaZr2(AsO4)3 by Materials Project

description: NaZr2(AsO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.55 Å. Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent AsO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.14 Å) Zr–O bond lengths. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 24–40°. All As–O bond lengths are 1.71 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Zr4+, and one As5+ atom.
DOI: 10.17188/1267634
title: Materials Data on KCdCu7Se2Cl9O8 by Materials Project

description: KCu7CdSe2O8Cl9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.18 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to three O2- and three Cl1- atoms to form distorted CuCl3O3 octahedra that share a cornercorner with one CuCl3O3 octahedra, corners with two equivalent CdCl6 octahedra, edges with three equivalent CuCl3O3 octahedra, and an edgeedge with one CuCl3O2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 27–53°. There are two shorter (1.92 Å) and one longer (2.19 Å) Cu–O bond lengths. There are one shorter (2.56 Å) and two longer (2.61 Å) Cu–Cl bond lengths. In the second Cu2+ site, Cu2+ is bonded to two equivalent O2- and three equivalent Cl1- atoms to form edge-sharing CuCl3O2 trigonal bipyramids. Both Cu–O bond lengths are 1.92 Å. All Cu–Cl bond lengths are 2.42 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with twelve equivalent CuCl3O3 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–Cl bond lengths are 2.66 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded to four Cu2+ atoms to form corner-sharing OCu4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+, two equivalent Cu2+, and one Cd2+ atom.
DOI: 10.17188/1267635
title: Materials Data on ZnS by Materials Project

description: ZnS is Moissanite 9R-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the fourth Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the fourth S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra.
DOI: 10.17188/1267636
title: Materials Data on Eu2B5ClO9 by Materials Project

description: Eu2B5O9Cl crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to seven O2- and two Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.56–2.95 Å. There are one shorter (2.99 Å) and one longer (3.04 Å) Eu–Cl bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to seven O2- and two Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.53–3.06 Å. There are one shorter (2.98 Å) and one longer (3.10 Å) Eu–Cl bond lengths. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the fifth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.52 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu2+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Eu2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu2+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Eu2+ and two B3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to four Eu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Eu2+ atoms.