cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1747928
title: Materials Data on CuPbSO6 by Materials Project

description: CuPbSO6 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CuPbSO6 sheet oriented in the (1, 0, -1) direction. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with two equivalent SO4 tetrahedra, edges with two equivalent PbO5 trigonal bipyramids, and faces with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.93–2.60 Å. Pb4+ is bonded to five O2- atoms to form distorted PbO5 trigonal bipyramids that share corners with three equivalent SO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.47–2.75 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent CuO6 octahedra and corners with three equivalent PbO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb4+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cu2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cu2+, one Pb4+, and one O2- atom. The O–O bond length is 1.52 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cu2+, one Pb4+, and one O2- atom.
DOI: 10.17188/1747929
title: Materials Data on Al3Co(W3C)3 by Materials Project

description: W9Al3CoC3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to one Co, three equivalent Al, and two equivalent C atoms. The W–Co bond length is 2.85 Å. There are two shorter (2.80 Å) and one longer (2.83 Å) W–Al bond lengths. Both W–C bond lengths are 2.16 Å. In the second W site, W is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al and two equivalent C atoms. Both W–Al bond lengths are 2.66 Å. Both W–C bond lengths are 2.09 Å. Co is bonded to six equivalent W and six equivalent Al atoms to form CoAl6W6 cuboctahedra that share edges with six equivalent CW6 octahedra, faces with two equivalent CoAl6W6 cuboctahedra, and faces with six equivalent AlAl2Co2W8 cuboctahedra. All Co–Al bond lengths are 2.48 Å. Al is bonded to eight W, two equivalent Co, and two equivalent Al atoms to form distorted AlAl2Co2W8 cuboctahedra that share corners with four equivalent AlAl2Co2W8 cuboctahedra, corners with four equivalent CW6 octahedra, faces with two equivalent CoAl6W6 cuboctahedra, faces with six equivalent AlAl2Co2W8 cuboctahedra, and faces with four equivalent CW6 octahedra. The corner-sharing octahedral tilt angles are 39°. Both Al–Al bond lengths are 2.63 Å. C is bonded to six W atoms to form CW6 octahedra that share corners with four equivalent AlAl2Co2W8 cuboctahedra, corners with six equivalent CW6 octahedra, edges with two equivalent CoAl6W6 cuboctahedra, and faces with four equivalent AlAl2Co2W8 cuboctahedra. The corner-sharing octahedra tilt angles range from 40–46°.
DOI: 10.17188/1747930
title: Materials Data on K5NaFe2(CO2)12 by Materials Project

description: K5NaFe2(CO2)12 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.74 Å) and three longer (3.06 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.14 Å. Na1+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.45 Å. Fe3+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (2.03 Å) and three longer (2.06 Å) Fe–O bond lengths. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one Fe3+, and one C3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Fe3+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Na1+, and one C3+ atom.
DOI: 10.17188/1747931
title: Materials Data on MgSn by Materials Project

description: MgSn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MgSn sheets oriented in the (0, 0, 1) direction. In one of the MgSn sheets, there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Sn atoms to form distorted MgSn3 cuboctahedra that share corners with twelve MgSn3 cuboctahedra and a faceface with one MgSn6 cuboctahedra. All Mg–Sn bond lengths are 3.18 Å. In the second Mg site, Mg is bonded to six Sn atoms to form distorted MgSn6 cuboctahedra that share corners with six equivalent MgSn3 cuboctahedra, edges with six equivalent MgSn6 cuboctahedra, and a faceface with one MgSn3 cuboctahedra. There are three shorter (3.14 Å) and three longer (3.19 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In one of the MgSn sheets, Mg is bonded to three equivalent Sn atoms to form distorted corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.19 Å. Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms.
DOI: 10.17188/1747932
title: Materials Data on LaEuPd2 by Materials Project

description: EuLaPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Eu–Pd bond lengths are 3.16 Å. La is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All La–Pd bond lengths are 3.16 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent La atoms.
DOI: 10.17188/1747933
title: Materials Data on LaPr(MnSi)4 by Materials Project

description: PrLa(MnSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Pr–Si bond lengths are 3.13 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.14 Å. Mn+2.50+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing MnSi4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.39 Å) Mn–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.72 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Pr3+, four equivalent Mn+2.50+, and one Si4- atom. The Si–Si bond length is 2.68 Å.
DOI: 10.17188/1747934
title: Materials Data on Mg2VB2Ir5 by Materials Project

description: Mg2VIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.92 Å. There are a spread of Mg–Ir bond distances ranging from 2.78–2.97 Å. There are one shorter (2.69 Å) and two longer (2.89 Å) Mg–B bond lengths. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg, ten Ir, and three B atoms. Both Mg–Mg bond lengths are 2.92 Å. There are a spread of Mg–Ir bond distances ranging from 2.78–2.97 Å. There are one shorter (2.69 Å) and two longer (2.89 Å) Mg–B bond lengths. V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.60 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four Mg, two equivalent V, and two equivalent B atoms. Both Ir–B bond lengths are 2.18 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to three Mg and six Ir atoms. All B–Ir bond lengths are 2.18 Å. In the second B site, B is bonded in a 7-coordinate geometry to three Mg and six Ir atoms. Both B–Ir bond lengths are 2.22 Å.
DOI: 10.5517/ccdc.csd.cc24ccvr
title: CCDC 1977144: Experimental Crystal Structure Determination

description: Related Article: Yan Chen, Hongju Liu, Ge Zou, Wencong Yang, Lishan Zhang, Zhangyuan Yan, Yuhua Long, Zhigang She|2020|Bioorg.Chem.|107|104530|doi:10.1016/j.bioorg.2020.104530
DOI: 10.17188/1747935
title: Materials Data on BaO6 by Materials Project

description: BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.
DOI: 10.5517/ccdc.csd.cc24ccyv
title: CCDC 1977147: Experimental Crystal Structure Determination

description: Related Article: Yan Chen, Hongju Liu, Ge Zou, Wencong Yang, Lishan Zhang, Zhangyuan Yan, Yuhua Long, Zhigang She|2020|Bioorg.Chem.|107|104530|doi:10.1016/j.bioorg.2020.104530
DOI: 10.5517/ccdc.csd.cc24cd1z
title: CCDC 1977150: Experimental Crystal Structure Determination

description: Related Article: Yan Chen, Hongju Liu, Ge Zou, Wencong Yang, Lishan Zhang, Zhangyuan Yan, Yuhua Long, Zhigang She|2020|Bioorg.Chem.|107|104530|doi:10.1016/j.bioorg.2020.104530
DOI: 10.17188/1747936
title: Materials Data on Mo(PO3)3 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: 10.17188/1747937
title: Materials Data on TbRe2 by Materials Project

description: TbRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.16 Å) and nine longer (3.19 Å) Tb–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Tb and six equivalent Re atoms to form a mixture of corner, edge, and face-sharing ReTb6Re6 cuboctahedra. All Re–Re bond lengths are 2.74 Å. In the second Re site, Re is bonded to six equivalent Tb and six Re atoms to form a mixture of corner, edge, and face-sharing ReTb6Re6 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.80 Å) Re–Re bond lengths.
DOI: 10.5517/ccdc.csd.cc24vrj9
title: CCDC 1991921: Experimental Crystal Structure Determination

description: Related Article: Kai Yang, Jian-Qiong Yang, Shi-He Luo, Wen-Jie Mei, Jian-Yun Lin, Jia-Qi Zhan, Zhao-Yang Wang|2020|Bioorg.Chem.|107|104518|doi:10.1016/j.bioorg.2020.104518
DOI: 10.5517/ccdc.csd.cc24vrkb
title: CCDC 1991922: Experimental Crystal Structure Determination

description: Related Article: Kai Yang, Jian-Qiong Yang, Shi-He Luo, Wen-Jie Mei, Jian-Yun Lin, Jia-Qi Zhan, Zhao-Yang Wang|2020|Bioorg.Chem.|107|104518|doi:10.1016/j.bioorg.2020.104518
DOI: 10.17188/1747938
title: Materials Data on Li4Zn(PS4)2 by Materials Project

description: Li4Zn(PS4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S2- atoms to form distorted LiS4 tetrahedra that share a cornercorner with one ZnS4 tetrahedra, corners with four PS4 tetrahedra, and corners with seven LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.54–2.69 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four PS4 tetrahedra and corners with seven LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.37–2.42 Å. In the third Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with two equivalent ZnS4 tetrahedra, corners with four PS4 tetrahedra, and corners with five LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.39–2.43 Å. In the fourth Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with two equivalent ZnS4 tetrahedra, corners with three LiS4 tetrahedra, and corners with four PS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.41–2.49 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four PS4 tetrahedra and corners with five LiS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.34–2.40 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share a cornercorner with one ZnS4 tetrahedra and corners with nine LiS4 tetrahedra. There are a spread of P–S bond distances ranging from 2.02–2.08 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share corners with three equivalent ZnS4 tetrahedra and corners with seven LiS4 tetrahedra. There are a spread of P–S bond distances ranging from 2.04–2.10 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom. In the second S2- site, S2- is bonded to three Li1+ and one P5+ atom to form corner-sharing SLi3P tetrahedra. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom. In the fourth S2- site, S2- is bonded to three Li1+ and one P5+ atom to form corner-sharing SLi3P tetrahedra. In the fifth S2- site, S2- is bonded to three Li1+ and one P5+ atom to form corner-sharing SLi3P tetrahedra. In the sixth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom. In the seventh S2- site, S2- is bonded to two Li1+, one Zn2+, and one P5+ atom to form corner-sharing SLi2ZnP tetrahedra. In the eighth S2- site, S2- is bonded in a trigonal non-coplanar geometry to two Li1+ and one P5+ atom.
DOI: 10.5517/ccdc.csd.cc2325t6
title: CCDC 1938517: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Xue Bai, Huan-Sha Yuwen, Ling-Li Guo, Jian-Wen Liu, Xiao-Jiang Hao|2020|Bioorg.Chem.|107|104515|doi:10.1016/j.bioorg.2020.104515
DOI: 10.5517/ccdc.csd.cc2325s5
title: CCDC 1938516: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Xue Bai, Huan-Sha Yuwen, Ling-Li Guo, Jian-Wen Liu, Xiao-Jiang Hao|2020|Bioorg.Chem.|107|104515|doi:10.1016/j.bioorg.2020.104515
DOI: 10.5517/ccdc.csd.cc2325v7
title: CCDC 1938518: Experimental Crystal Structure Determination

description: Related Article: Yu Zhang, Xue Bai, Huan-Sha Yuwen, Ling-Li Guo, Jian-Wen Liu, Xiao-Jiang Hao|2020|Bioorg.Chem.|107|104515|doi:10.1016/j.bioorg.2020.104515
DOI: 10.17188/1747939
title: Materials Data on Tb3Zr by Materials Project

description: Tb3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with twelve equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra. All Tb–Tb bond lengths are 3.46 Å. All Tb–Zr bond lengths are 3.46 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with four equivalent TbTb8Zr4 cuboctahedra, corners with eight equivalent ZrTb12 cuboctahedra, edges with twenty-four TbTb8Zr4 cuboctahedra, faces with six equivalent ZrTb12 cuboctahedra, and faces with twelve TbTb8Zr4 cuboctahedra. All Tb–Zr bond lengths are 3.46 Å. Zr is bonded to twelve Tb atoms to form ZrTb12 cuboctahedra that share corners with four equivalent ZrTb12 cuboctahedra, corners with eight equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra.
DOI: 10.5517/ccdc.csd.cc25j4b6
title: CCDC 2011507: Experimental Crystal Structure Determination

description: Related Article: Fei Tang, Yong-Ming Yan, Hong-Ling Yan, Li-Xia Wang, Chang-Jiang Hu, Hong-Liang Wang, Hui Ao, Cheng Peng, Yu-Zhu Tan|2020|Bioorg.Chem.|107|104523|doi:10.1016/j.bioorg.2020.104523
DOI: 10.17188/1747940
title: Materials Data on SNO3 by Materials Project

description: NSO3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight NSO3 clusters. N is bonded in a single-bond geometry to one S atom. The N–S bond length is 1.67 Å. S is bonded in a tetrahedral geometry to one N and three O atoms. All S–O bond lengths are 1.47 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a single-bond geometry to one S atom.
DOI: 10.17188/1747941
title: Materials Data on VF4 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: 10.17188/1747942
title: Materials Data on BaV(AsO5)2 by Materials Project

description: BaV(AsO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.32 Å. V is bonded to six O atoms to form distorted VO6 octahedra that share corners with five AsO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.65–2.20 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–48°. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of As–O bond distances ranging from 1.69–1.74 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Ba, one V, and one As atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one As atom. In the third O site, O is bonded in a distorted water-like geometry to one Ba and one As atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one V and one As atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Ba, one V, and one As atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one As atom. In the seventh O site, O is bonded in a 2-coordinate geometry to one Ba, one V, and one As atom. In the eighth O site, O is bonded in a water-like geometry to two equivalent Ba atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Ba, one V, and one As atom. In the tenth O site, O is bonded in a single-bond geometry to two equivalent Ba and one V atom.
DOI: 10.17188/1747943
title: Materials Data on Si2P3RhO13 by Materials Project

description: RhSi2P3O13 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six PO4 tetrahedra. All Rh–O bond lengths are 2.05 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 a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent PO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent RhO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent RhO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.52 Å) and two longer (1.57 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Si4+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Si4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rh3+ and one P5+ atom.