cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1759724
title: Materials Data on Fe3Pt by Materials Project

description: Fe3Pt crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded to nine Fe and three equivalent Pt atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with twelve equivalent FeFe9Pt3 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with eighteen FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with twelve FeFe9Pt3 cuboctahedra. There are three shorter (2.50 Å) and six longer (2.72 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.69 Å. In the second Fe site, Fe is bonded to twelve Fe atoms to form FeFe12 cuboctahedra that share corners with six equivalent FeFe12 cuboctahedra, corners with six equivalent PtFe6Pt6 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with eighteen FeFe9Pt3 cuboctahedra, and faces with eighteen FeFe9Pt3 cuboctahedra. All Fe–Fe bond lengths are 2.72 Å. In the third Fe site, Fe is bonded to nine Fe and three equivalent Pt atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with seventeen FeFe9Pt3 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with sixteen FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with fifteen FeFe9Pt3 cuboctahedra. There are three shorter (2.50 Å) and six longer (2.72 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.69 Å. In the fourth Fe site, Fe is bonded to sixteen Fe atoms to form FeFe16 cuboctahedra that share corners with six equivalent PtFe6Pt6 cuboctahedra, corners with sixteen FeFe9Pt3 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with eighteen FeFe9Pt3 cuboctahedra, and faces with thirty-four FeFe9Pt3 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.50–5.45 Å. In the fifth Fe site, Fe is bonded to nine Fe and three equivalent Pt atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with seventeen FeFe9Pt3 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with sixteen FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with fifteen FeFe9Pt3 cuboctahedra. All Fe–Fe bond lengths are 2.72 Å. All Fe–Pt bond lengths are 2.69 Å. Pt is bonded to six equivalent Fe and six equivalent Pt atoms to form distorted PtFe6Pt6 cuboctahedra that share corners with six equivalent FeFe12 cuboctahedra, corners with six equivalent PtFe6Pt6 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with eighteen FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with twelve equivalent FeFe9Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.
DOI: 10.17188/1759725
title: Materials Data on U2(Al3Rh)3 by Materials Project

description: U2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to six Rh and eleven Al atoms. There are a spread of U–Rh bond distances ranging from 3.43–3.47 Å. There are a spread of U–Al bond distances ranging from 3.05–3.18 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.56–2.65 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.55–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent U and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent U and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Rh atoms.
DOI: 10.5517/ccdc.csd.cc23g26w
title: CCDC 1949937: Experimental Crystal Structure Determination

description: Related Article: Timothy J. Kotzé, Sandra Duffy, Vicky M Avery, Audrey Jordaan, Digby F. Warner, Leigh Loots, Gregory S. Smith, Prinessa Chellan|2021|Inorg.Chim.Acta|517|120175|doi:10.1016/j.ica.2020.120175
DOI: 10.17188/1759726
title: Materials Data on Li3Ti3CrO8 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: 10.17188/1759727
title: Materials Data on Ho2MgCu2 by Materials Project

description: MgHo2Cu2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 3.07 Å. Ho is bonded in a 6-coordinate geometry to six equivalent Cu atoms. There are two shorter (2.86 Å) and four longer (2.94 Å) Ho–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Ho, and one Cu atom. The Cu–Cu bond length is 2.59 Å.
DOI: 10.17188/1759729
title: Materials Data on Er5Ir3 by Materials Project

description: Er5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to five Ir atoms to form distorted ErIr5 trigonal bipyramids that share corners with four equivalent ErIr4 tetrahedra, corners with eleven equivalent ErIr5 trigonal bipyramids, an edgeedge with one ErIr4 tetrahedra, edges with six equivalent ErIr5 trigonal bipyramids, and faces with two equivalent ErIr5 trigonal bipyramids. There are a spread of Er–Ir bond distances ranging from 2.87–3.11 Å. In the second Er site, Er is bonded to four equivalent Ir atoms to form ErIr4 tetrahedra that share corners with sixteen equivalent ErIr5 trigonal bipyramids, edges with two equivalent ErIr4 tetrahedra, and edges with four equivalent ErIr5 trigonal bipyramids. All Er–Ir bond lengths are 2.83 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Er atoms.
DOI: 10.17188/1759730
title: Materials Data on K3Tc by Materials Project

description: KK2Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four potassium molecules and one K2Tc framework. In the K2Tc framework, K1+ is bonded to four equivalent Tc3- atoms to form a mixture of edge and corner-sharing KTc4 tetrahedra. All K–Tc bond lengths are 3.87 Å. Tc3- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.
DOI: 10.17188/1759731
title: Materials Data on Ti(NbS2)3 by Materials Project

description: Ti(NbS2)3 is Ilmenite-like structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent S2- atoms to form TiS6 octahedra that share corners with twelve NbS6 pentagonal pyramids and faces with two equivalent NbS6 pentagonal pyramids. All Ti–S bond lengths are 2.47 Å. There are two inequivalent Nb+2.67+ sites. In the first Nb+2.67+ site, Nb+2.67+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with six equivalent TiS6 octahedra and edges with six equivalent NbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. All Nb–S bond lengths are 2.50 Å. In the second Nb+2.67+ site, Nb+2.67+ is bonded to six equivalent S2- atoms to form distorted NbS6 pentagonal pyramids that share corners with three equivalent TiS6 octahedra, edges with six NbS6 pentagonal pyramids, and a faceface with one TiS6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three shorter (2.50 Å) and three longer (2.51 Å) Nb–S bond lengths. S2- is bonded to one Ti4+ and three Nb+2.67+ atoms to form a mixture of distorted corner, edge, and face-sharing STiNb3 trigonal pyramids.
DOI: 10.17188/1759732
title: Materials Data on MgO 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: 10.17188/1759733
title: Materials Data on CeCrS2O 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: 10.17188/1759734
title: Materials Data on Ti 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: 10.5517/ccdc.csd.cc24t85f
title: CCDC 1990484: Experimental Crystal Structure Determination

description: Related Article: Shuang Lü, Sheng Gong, Guang-Hua Xu, Yao-Yao Liu, Liang Lü, Cui-Rong Qin, Qian-Li Li|2020|Inorg.Chim.Acta|511|119797|doi:10.1016/j.ica.2020.119797
DOI: 10.17188/1759736
title: Materials Data on Bi2Te2WO10 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: 10.5517/ccdc.csd.cc24t86g
title: CCDC 1990485: Experimental Crystal Structure Determination

description: Related Article: Shuang Lü, Sheng Gong, Guang-Hua Xu, Yao-Yao Liu, Liang Lü, Cui-Rong Qin, Qian-Li Li|2020|Inorg.Chim.Acta|511|119797|doi:10.1016/j.ica.2020.119797
DOI: 10.17188/1759737
title: Materials Data on Y3Mg by Materials Project

description: MgY3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Y atoms to form distorted MgY6 cuboctahedra that share corners with twenty-four YY12 cuboctahedra, edges with six equivalent MgY6 cuboctahedra, edges with twelve equivalent YY9Mg3 cuboctahedra, and faces with two equivalent YY12 cuboctahedra. All Mg–Y bond lengths are 3.51 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Y atoms to form YY12 cuboctahedra that share corners with six equivalent YY12 cuboctahedra, corners with twelve equivalent MgY6 cuboctahedra, edges with eighteen YY12 cuboctahedra, faces with two equivalent MgY6 cuboctahedra, and faces with eighteen YY12 cuboctahedra. There are six shorter (3.53 Å) and six longer (3.54 Å) Y–Y bond lengths. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form YY9Mg3 cuboctahedra that share corners with six equivalent MgY6 cuboctahedra, corners with eighteen equivalent YY9Mg3 cuboctahedra, edges with six equivalent MgY6 cuboctahedra, edges with twelve YY12 cuboctahedra, and faces with fourteen YY12 cuboctahedra. All Y–Y bond lengths are 3.54 Å.
DOI: 10.17188/1759738
title: Materials Data on Ce4Si4N6O5 by Materials Project

description: Ce4Si4N6O5 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to three N3- and four O2- atoms to form distorted CeN3O4 hexagonal pyramids that share corners with four equivalent CeN3O4 hexagonal pyramids, corners with three SiN3O tetrahedra, edges with two equivalent CeN3O4 hexagonal pyramids, and edges with three SiN3O tetrahedra. There are a spread of Ce–N bond distances ranging from 2.56–2.71 Å. There are a spread of Ce–O bond distances ranging from 2.37–2.53 Å. In the second Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to three equivalent N3- and four O2- atoms. All Ce–N bond lengths are 2.55 Å. There are one shorter (2.28 Å) and three longer (2.95 Å) Ce–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form SiN3O tetrahedra that share corners with two equivalent CeN3O4 hexagonal pyramids, corners with three SiN3O tetrahedra, and edges with two equivalent CeN3O4 hexagonal pyramids. There are a spread of Si–N bond distances ranging from 1.71–1.73 Å. The Si–O bond length is 1.68 Å. In the second Si4+ site, Si4+ is bonded to three equivalent N3- and one O2- atom to form SiN3O tetrahedra that share corners with three equivalent CeN3O4 hexagonal pyramids, corners with three equivalent SiN3O tetrahedra, and edges with three equivalent CeN3O4 hexagonal pyramids. All Si–N bond lengths are 1.69 Å. The Si–O bond length is 1.67 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two Ce3+ and two equivalent Si4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ce3+ and one Si4+ atom to form distorted corner-sharing OCe3Si tetrahedra. In the second O2- site, O2- is bonded to four Ce3+ atoms to form corner-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom.
DOI: 10.17188/1759739
title: Materials Data on Tb4MgGe4 by Materials Project

description: MgTb4Ge4 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.77–3.17 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.87–3.07 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.00–3.36 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six Tb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Tb, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Tb, and one Ge atom. The Ge–Ge bond length is 2.72 Å.
DOI: 10.17188/1759740
title: Materials Data on Li7Fe8(BO3)8 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: 10.17188/1759741
title: Materials Data on Zn10Pd3 by Materials Project

description: Pd3Zn10 is gamma-brass-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to eleven Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.60–2.94 Å. In the second Pd site, Pd is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.64–2.83 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.59–2.78 Å. In the fourth Pd site, Pd is bonded in a 11-coordinate geometry to eleven Zn atoms. There are a spread of Pd–Zn bond distances ranging from 2.60–2.81 Å. There are thirteen inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to five Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.87 Å. In the second Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and two Zn atoms. The Zn–Zn bond length is 2.64 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to four Pd and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.68–2.74 Å. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to four Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–3.10 Å. In the fifth Zn site, Zn is bonded in a 11-coordinate geometry to four Pd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.93 Å. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to two Pd and four Zn atoms. There are one shorter (2.69 Å) and one longer (2.80 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 11-coordinate geometry to three Pd and four Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.81–2.93 Å. In the eighth Zn site, Zn is bonded in a 2-coordinate geometry to three Pd and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.64–2.97 Å. In the ninth Zn site, Zn is bonded in a 11-coordinate geometry to four Pd and three Zn atoms. The Zn–Zn bond length is 2.97 Å. In the tenth Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.93 Å. In the eleventh Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Pd and eleven Zn atoms. The Zn–Zn bond length is 2.57 Å. In the twelfth Zn site, Zn is bonded in a 3-coordinate geometry to three Pd and four Zn atoms. In the thirteenth Zn site, Zn is bonded in a 2-coordinate geometry to two Pd and eleven Zn atoms.
DOI: 10.17188/1759742
title: Materials Data on InCN2 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: 10.17188/1759743
title: Materials Data on Li2TiCrO4 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: 10.17188/1759744
title: Materials Data on Li2Co2C2O7 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: 10.17188/1759746
title: Materials Data on Mn3V2Ga2Co by Materials Project

description: V2Mn3CoGa2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to seven Mn and one Co atom. There are a spread of V–Mn bond distances ranging from 2.48–2.51 Å. The V–Co bond length is 2.52 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Co atoms. There are a spread of V–Mn bond distances ranging from 2.49–2.54 Å. All V–Co bond lengths are 2.51 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to four V and four Ga atoms. There are three shorter (2.51 Å) and one longer (2.52 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. All Mn–Ga bond lengths are 2.51 Å. In the third Mn site, Mn is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. All Mn–Ga bond lengths are 2.50 Å. Co is bonded in a distorted body-centered cubic geometry to four V and four Ga atoms. There are one shorter (2.49 Å) and three longer (2.50 Å) Co–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Co atoms. In the second Ga site, Ga is bonded in a distorted body-centered cubic geometry to seven Mn and one Co atom.
DOI: 10.5517/ccdc.csd.cc253qxy
title: CCDC 1999590: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x
DOI: 10.5517/ccdc.csd.cc253qyz
title: CCDC 1999591: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x
DOI: 10.5517/ccdc.csd.cc253qz0
title: CCDC 1999592: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x
DOI: 10.5517/ccdc.csd.cc253r02
title: CCDC 1999593: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x
DOI: 10.5517/ccdc.csd.cc253r13
title: CCDC 1999594: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x
DOI: 10.17188/1759749
title: Materials Data on Cs2NaRuF6 by Materials Project

description: Cs2NaRuF6 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 NaF6 octahedra, and faces with four equivalent RuF6 octahedra. All Cs–F bond lengths are 3.15 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent RuF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.41 Å. Ru3+ is bonded to six equivalent F1- atoms to form RuF6 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 Ru–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Ru3+ atom.
DOI: 10.5517/ccdc.csd.cc253r24
title: CCDC 1999595: Experimental Crystal Structure Determination

description: Related Article: Seung Youn Hong, Dongwook Kim, Sukbok Chang|2020|Nat. Catal.|4|79|doi:10.1038/s41929-020-00558-x