cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316844
title: Materials Data on Rb2NaSbCl6 by Materials Project

description: Rb2NaSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All Rb–Cl bond lengths are 3.84 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.77 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.66 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Sb3+ atom.
DOI: 10.17188/1316845
title: Materials Data on SrTcN3 by Materials Project

description: SrTcN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–3.07 Å. Tc7+ is bonded to four N3- atoms to form corner-sharing TcN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.95 Å) Tc–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Tc7+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Tc7+ atoms.
DOI: 10.17188/1316846
title: Materials Data on Rb2NaInCl6 by Materials Project

description: Rb2NaInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.75 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one In3+ atom.
DOI: 10.17188/1316847
title: Materials Data on Rb2NaTlF6 by Materials Project

description: Rb2NaTlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent TlF6 octahedra. All Rb–F bond lengths are 3.18 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.30 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.20 Å. F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Tl3+ atom.
DOI: 10.17188/1316848
title: Materials Data on Cs2PbClF6 by Materials Project

description: (Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2PbF6 framework. In the Cs2PbF6 framework, Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.54 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pb–F bond lengths are 2.12 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Pb atom.
DOI: 10.17188/1316849
title: Materials Data on Rb2TlInCl6 by Materials Project

description: Rb2TlInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent TlCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.96 Å. Tl1+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 3.04 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.55 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Tl1+, and one In3+ atom.
DOI: 10.17188/1316850
title: Materials Data on LiTl2InF6 by Materials Project

description: LiTl2InF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.16 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent InF6 octahedra. All Tl–F bond lengths are 3.03 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a distorted linear geometry to one Li1+, four equivalent Tl1+, and one In3+ atom.
DOI: 10.17188/1316851
title: Materials Data on LaMoN3 by Materials Project

description: LaMoN3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.55 Å) and three longer (2.63 Å) La–N bond lengths. Mo6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three shorter (1.87 Å) and three longer (2.28 Å) Mo–N bond lengths. N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Mo6+ atoms.
DOI: 10.17188/1316852
title: Materials Data on Cs2TlGaH6 by Materials Project

description: Cs2GaH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2GaH6 framework. In the Cs2GaH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent GaH6 octahedra. All Cs–H bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent H1- atoms to form GaH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Ga–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ga3+ atom.
DOI: 10.17188/1316853
title: Materials Data on LaMnN3 by Materials Project

description: LaMnN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La2+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of La–N bond distances ranging from 2.56–2.90 Å. Mn7+ is bonded to four N3- atoms to form corner-sharing MnN4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.84 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent La2+ and one Mn7+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to four equivalent La2+ and two equivalent Mn7+ atoms.
DOI: 10.17188/1316854
title: Materials Data on Tl2InGaF6 by Materials Project

description: Tl2InGaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent GaF6 octahedra. All Tl–F bond lengths are 3.22 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.60 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Tl1+, one In1+, and one Ga3+ atom.
DOI: 10.17188/1316855
title: Materials Data on Cs2NaPbF6 by Materials Project

description: Cs2NaPbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.29 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–F bond lengths are 2.28 Å. F is bonded in a distorted linear geometry to four equivalent Cs, one Na, and one Pb atom.
DOI: 10.17188/1316856
title: Materials Data on YTcN3 by Materials Project

description: YTcN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. Tc6+ is bonded to six N3- atoms to form distorted corner-sharing TcN6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Tc–N bond distances ranging from 2.04–2.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Tc6+, and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded to three equivalent Y3+ and two equivalent Tc6+ atoms to form corner-sharing NY3Tc2 trigonal bipyramids.
DOI: 10.17188/1316857
title: Materials Data on Cs2TlGaF6 by Materials Project

description: Cs2TlGaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent TlF6 octahedra, and faces with four equivalent GaF6 octahedra. All Cs–F bond lengths are 3.32 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.73 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Tl1+, and one Ga3+ atom.
DOI: 10.17188/1316858
title: Materials Data on Cs2NaLiF6 by Materials Project

description: Cs2NaLiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent LiF6 octahedra. All Cs–F bond lengths are 3.13 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.34 Å. Li is bonded to six equivalent F atoms to form LiF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.08 Å. F is bonded in a distorted linear geometry to four equivalent Cs, one Na, and one Li atom.
DOI: 10.17188/1316859
title: Materials Data on Cs2TlSiH6 by Materials Project

description: Cs2SiH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2SiH6 framework. In the Cs2SiH6 framework, Cs is bonded to twelve equivalent H atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent SiH6 octahedra. All Cs–H bond lengths are 3.23 Å. Si is bonded to six equivalent H atoms to form SiH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Si–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Si atom.
DOI: 10.17188/1316860
title: Materials Data on NaTl2GaF6 by Materials Project

description: NaTl2GaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.34 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Tl–F bond lengths are 3.04 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a distorted linear geometry to one Na1+, four equivalent Tl1+, and one Ga3+ atom.
DOI: 10.17188/1316861
title: Materials Data on Cs2LiTlF6 by Materials Project

description: Cs2LiTlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. 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 LiF6 octahedra, and faces with four equivalent TlF6 octahedra. All Cs–F bond lengths are 3.16 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.24 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.22 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Tl3+ atom.
DOI: 10.17188/1316862
title: Materials Data on Rb2NaTlCl6 by Materials Project

description: Rb2NaTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Rb–Cl bond lengths are 3.80 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Tl3+ atom.
DOI: 10.17188/1316863
title: Materials Data on Rb2TlGaF6 by Materials Project

description: Rb2TlGaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent TlF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.27 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.66 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.93 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Tl1+, and one Ga3+ atom.
DOI: 10.17188/1316864
title: Materials Data on Rb2InGaF6 by Materials Project

description: Rb2InGaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent GaF6 octahedra. All Rb–F bond lengths are 3.23 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.61 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one In1+, and one Ga3+ atom.
DOI: 10.17188/1316865
title: Materials Data on Cs2RbTlF6 by Materials Project

description: Cs2RbTlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. 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 RbF6 octahedra, and faces with four equivalent TlF6 octahedra. All Cs–F bond lengths are 3.47 Å. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.69 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.20 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Tl3+ atom.
DOI: 10.17188/1316866
title: Materials Data on Cs2NaMgF6 by Materials Project

description: Cs2NaMgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent MgF6 octahedra. All Cs–F bond lengths are 3.14 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent MgF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.40 Å. Mg is bonded to six equivalent F atoms to form MgF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.03 Å. F is bonded in a distorted linear geometry to four equivalent Cs, one Na, and one Mg atom.