cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1270214
title: Materials Data on Ba2HoB2ClO6 by Materials Project

description: Ba2HoB2O6Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.99 Å. Both Ba–Cl bond lengths are 3.59 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to five O2- and four equivalent Cl1- atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.00 Å. There are a spread of Ba–Cl bond distances ranging from 3.18–3.41 Å. Ho3+ is bonded to seven O2- atoms to form distorted edge-sharing HoO7 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.26–2.41 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.36 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ba2+, one Ho3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, two equivalent Ho3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Ho3+, and one B3+ atom. Cl1- is bonded in a 6-coordinate geometry to six Ba2+ atoms.
DOI: 10.17188/1270215
title: Materials Data on Na2Cd(SO4)2 by Materials Project

description: Na2Cd(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–3.06 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.28–2.43 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 38–68°. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Cd2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom.
DOI: 10.17188/1270216
title: Materials Data on CuAs4S3Cl by Materials Project

description: CuAs4S3Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two CuAs4S3Cl ribbons oriented in the (1, 0, 0) direction. Cu1+ is bonded to two equivalent S2- and two equivalent Cl1- atoms to form corner-sharing CuS2Cl2 tetrahedra. Both Cu–S bond lengths are 2.26 Å. Both Cu–Cl bond lengths are 2.40 Å. There are three inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.26 Å. In the second As+1.50+ site, As+1.50+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the third As+1.50+ site, As+1.50+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.26 Å) and two longer (2.30 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Cu1+ and two As+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+1.50+ atoms. Cl1- is bonded in a water-like geometry to two equivalent Cu1+ atoms.
DOI: 10.17188/1270217
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1270218
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.65 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 1.61–1.65 Å. In the third 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 1.61–1.65 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1270219
title: Materials Data on ErPH5CO7 by Materials Project

description: ErCPH3O6H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one ErCPH3O6 framework. In the ErCPH3O6 framework, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.27–2.47 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. P5+ is bonded in a distorted tetrahedral geometry to one H+0.60+ and three O2- atoms. 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 three inequivalent H+0.60+ sites. In the first H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one P5+ atom. In the third H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Er3+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Er3+ and two H+0.60+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Er3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Er3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+, one C3+, and one H+0.60+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Er3+ and one P5+ atom.
DOI: 10.17188/1270220
title: Materials Data on K9U6BiO24 by Materials Project

description: K9U6BiO24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-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 O2- atoms to form KO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–O bond lengths are 2.50 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, a faceface with one KO6 octahedra, a faceface with one BiO6 octahedra, and faces with six UO6 octahedra. There are a spread of K–O bond distances ranging from 3.09–3.13 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent KO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.24 Å) U–O bond lengths. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.02 Å) and four longer (2.15 Å) U–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two U6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+, one U6+, and one Bi3+ atom.
DOI: 10.17188/1270221
title: Materials Data on Eu5Si3O12F by Materials Project

description: Eu5Si3O12F crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.60+ sites. In the first Eu+2.60+ site, Eu+2.60+ is bonded to six O2- and one F1- atom to form distorted EuO6F pentagonal bipyramids that share corners with six equivalent EuO6F pentagonal bipyramids, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.38–2.77 Å. The Eu–F bond length is 2.44 Å. In the second Eu+2.60+ site, Eu+2.60+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.89 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent EuO6F pentagonal bipyramids and an edgeedge with one EuO6F pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu+2.60+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.60+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.60+ and one Si4+ atom. F1- is bonded in a trigonal planar geometry to three equivalent Eu+2.60+ atoms.
DOI: 10.17188/1270223
title: Materials Data on Ca3Mg(SiO4)2 by Materials Project

description: Ca3MgSi2O8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.87 Å. In the second 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 2.32–2.87 Å. In the third 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 2.24–2.87 Å. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 7–45°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 11–50°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Ca2+, one Mg2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+, one Mg2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Ca2+, one Mg2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+, one Mg2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Ca2+, one Mg2+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Ca2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Ca2+, one Mg2+, and one Si4+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ca2+ and one Si4+ atom.
DOI: 10.17188/1270224
title: Materials Data on KNaNdNbO5 by Materials Project

description: KNaNdNbO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All K–O bond lengths are 2.91 Å. Na1+ is bonded to five O2- atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent NbO5 trigonal bipyramids. There are one shorter (2.31 Å) and four longer (2.33 Å) Na–O bond lengths. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.50 Å. Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with five equivalent NaO5 trigonal bipyramids. There is one shorter (1.87 Å) and four longer (1.99 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Nd3+, and one Nb5+ atom. In the second O2- site, O2- is bonded to four equivalent K1+, one Na1+, and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OK4NaNb octahedra. The corner-sharing octahedral tilt angles are 11°.
DOI: 10.17188/1270225
title: Materials Data on CsAg(NO3)2 by Materials Project

description: CsAg(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.19–3.43 Å. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–3.02 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+, two equivalent Ag1+, and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+, one Ag1+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Ag1+, and one N5+ atom.
DOI: 10.17188/1270226
title: Materials Data on SrLi(BS2)3 by Materials Project

description: LiSr(BS2)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.51–2.62 Å. Sr2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.05–3.56 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.78–1.83 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.79–1.83 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Sr2+, and one B3+ atom. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two B3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Sr2+, and one B3+ atom. In the fourth S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and two B3+ atoms. In the fifth S2- site, S2- is bonded to one Li1+, two equivalent Sr2+, and one B3+ atom to form distorted corner-sharing SSr2LiB tetrahedra. In the sixth S2- site, S2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two B3+ atoms.
DOI: 10.17188/1270228
title: Materials Data on H2O by Materials Project

description: H2O is alpha Pu-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve water molecules. 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 1.00 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. O2- is bonded in a water-like geometry to two H1+ atoms. Both O–H bond lengths are 1.00 Å.
DOI: 10.17188/1270229
title: Materials Data on K2RbMn2F7 by Materials Project

description: RbK2Mn2F7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with four equivalent RbF12 cuboctahedra, faces with four equivalent RbF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are four shorter (3.03 Å) and eight longer (3.05 Å) Rb–F bond lengths. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.61–3.04 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with five equivalent MnF6 octahedra and faces with four equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–F bond distances ranging from 2.12–2.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Rb1+, two equivalent K1+, and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to five equivalent K1+ and one Mn2+ atom to form a mixture of distorted corner and edge-sharing FK5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the third F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1270230
title: Materials Data on Li2MnF6 (SG:164) 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: 10.17188/1270231
title: Materials Data on La10S19 by Materials Project

description: La10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.95–3.23 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.90–3.19 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of La–S bond distances ranging from 2.94–3.05 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom. The S–S bond length is 2.14 Å. In the fifth S+1.58- site, S+1.58- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing SLa5 trigonal bipyramids. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four La3+ and one S+1.58- atom.
DOI: 10.17188/1270232
title: Materials Data on Ba3Ho2Cu2PtO10 by Materials Project

description: Ba3Ho2PtCu2O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.53–3.10 Å. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.72 Å) and four longer (2.76 Å) Ba–O bond lengths. Ho3+ is bonded to seven O2- atoms to form distorted HoO7 pentagonal bipyramids that share edges with two equivalent HoO7 pentagonal bipyramids and a faceface with one PtO6 octahedra. There are a spread of Ho–O bond distances ranging from 2.25–2.51 Å. Pt6+ is bonded to six O2- atoms to form PtO6 octahedra that share faces with two equivalent HoO7 pentagonal bipyramids. There are two shorter (2.04 Å) and four longer (2.05 Å) Pt–O bond lengths. Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ba2+, one Ho3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBa3HoCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–74°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Ba2+, two equivalent Ho3+, and one Cu1+ atom. In the third O2- site, O2- is bonded to three equivalent Ba2+, one Ho3+, one Pt6+, and one Cu1+ atom to form a mixture of distorted corner, edge, and face-sharing OBa3HoCuPt octahedra. The corner-sharing octahedra tilt angles range from 0–68°.