cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1207378
title: Materials Data on Nd2USe4 by Materials Project

description: UNd2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Se2- atoms to form distorted USe8 hexagonal bipyramids that share corners with eight equivalent NdSe8 hexagonal bipyramids, edges with four equivalent USe8 hexagonal bipyramids, and faces with eight equivalent NdSe8 hexagonal bipyramids. There are four shorter (2.99 Å) and four longer (3.12 Å) U–Se bond lengths. Nd+2.50+ is bonded to eight equivalent Se2- atoms to form distorted NdSe8 hexagonal bipyramids that share corners with four equivalent USe8 hexagonal bipyramids, corners with four equivalent NdSe8 hexagonal bipyramids, edges with four equivalent NdSe8 hexagonal bipyramids, faces with four equivalent USe8 hexagonal bipyramids, and faces with four equivalent NdSe8 hexagonal bipyramids. There are a spread of Nd–Se bond distances ranging from 3.01–3.17 Å. Se2- is bonded to two equivalent U3+ and four equivalent Nd+2.50+ atoms to form a mixture of distorted corner, edge, and face-sharing SeNd4U2 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.
DOI: 10.17188/1207379
title: Materials Data on Mg2Ta3N5 by Materials Project

description: Mg2Ta3N5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with two equivalent MgN6 octahedra, corners with four TaN6 octahedra, edges with three MgN6 octahedra, and edges with nine TaN6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Mg–N bond distances ranging from 2.12–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with two equivalent TaN6 octahedra, corners with four MgN6 octahedra, edges with three MgN6 octahedra, and edges with nine TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are four shorter (2.18 Å) and two longer (2.19 Å) Mg–N bond lengths. There are three inequivalent Ta+3.67+ sites. In the first Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with two equivalent MgN6 octahedra, corners with four TaN6 octahedra, edges with six MgN6 octahedra, and edges with six TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ta–N bond distances ranging from 2.16–2.21 Å. In the second Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with six TaN6 octahedra, edges with five TaN6 octahedra, and edges with seven MgN6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ta–N bond distances ranging from 2.15–2.22 Å. In the third Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with two equivalent TaN6 octahedra, corners with four MgN6 octahedra, edges with five MgN6 octahedra, and edges with seven TaN6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Ta–N bond distances ranging from 2.16–2.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three Mg2+ and three Ta+3.67+ atoms to form NMg3Ta3 octahedra that share corners with six NMg3Ta3 octahedra and edges with twelve NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. In the second N3- site, N3- is bonded to two equivalent Mg2+ and four Ta+3.67+ atoms to form a mixture of edge and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. In the third N3- site, N3- is bonded to two equivalent Mg2+ and four Ta+3.67+ atoms to form a mixture of edge and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.
DOI: 10.17188/1207380
title: Materials Data on SmTaO4 by Materials Project

description: SmTaO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.52 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.88–2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ta5+ atom.
DOI: 10.17188/1207381
title: Materials Data on Eu(NiP)2 by Materials Project

description: EuNi2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Eu–P bond lengths are 3.04 Å. Ni2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one P3- atom. The P–P bond length is 2.41 Å.
DOI: 10.17188/1207382
title: Materials Data on MgGeO3 by Materials Project

description: MgGeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent GeO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are three shorter (2.04 Å) and three longer (2.21 Å) Mg–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There is three shorter (1.89 Å) and three longer (1.98 Å) Ge–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1207383
title: Materials Data on PrSn3 by Materials Project

description: PrSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Sn atoms to form a mixture of corner and face-sharing PrSn12 cuboctahedra. All Pr–Sn bond lengths are 3.39 Å. Sn is bonded in a distorted square co-planar geometry to four equivalent Pr atoms.
DOI: 10.17188/1207384
title: Materials Data on LiNdSe2 by Materials Project

description: LiNdSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with two equivalent NdSe6 octahedra, corners with four equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent NdSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.94 Å) and two longer (2.96 Å) Li–Se bond lengths. Nd3+ is bonded to six equivalent Se2- atoms to form NdSe6 octahedra that share corners with two equivalent LiSe6 octahedra, corners with four equivalent NdSe6 octahedra, edges with four equivalent NdSe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.94 Å) and two longer (2.95 Å) Nd–Se bond lengths. Se2- is bonded to three equivalent Li1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SeLi3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1207385
title: Materials Data on Al2NiO4 by Materials Project

description: NiAl2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent NiO6 octahedra, and edges with four equivalent AlO6 octahedra. There are four shorter (2.04 Å) and two longer (2.07 Å) Ni–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent NiO6 octahedra and corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 53–58°. There is two shorter (1.80 Å) and two longer (1.83 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent AlO6 octahedra, and edges with four equivalent NiO6 octahedra. There is two shorter (1.90 Å) and four longer (1.97 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ni2+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Ni2+ and three Al3+ atoms.
DOI: 10.17188/1207386
title: Materials Data on VCu3S4 by Materials Project

description: Cu3VS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All V–S bond lengths are 2.21 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent VS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. S2- is bonded to one V5+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SVCu3 tetrahedra.
DOI: 10.17188/1207387
title: Materials Data on LiMnO2 by Materials Project

description: LiMnO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.11 Å) and two longer (2.28 Å) Li–O bond lengths. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MnO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (1.96 Å) and four longer (2.11 Å) Mn–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn3+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn3+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are one shorter (1.96 Å) and two longer (2.11 Å) O–Mn bond lengths. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn3+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.11 Å) and one longer (2.28 Å) O–Li bond lengths. In the fourth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn3+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.11 Å) and one longer (2.28 Å) O–Li bond lengths. In the fifth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn3+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–9°.
DOI: 10.17188/1207389
title: Materials Data on Te3P2O11 by Materials Project

description: P2Te3O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. 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 TeO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four TeO5 square pyramids. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.55 Å. In the second Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share a cornercorner with one TeO5 square pyramid and corners with two equivalent PO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.92–2.20 Å. In the third Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share a cornercorner with one TeO5 square pyramid and corners with four PO4 tetrahedra. There are a spread of Te–O bond distances ranging from 1.91–2.21 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one P5+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three Te4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to two Te4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P5+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted linear geometry to one P5+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one P5+ and one Te4+ atom.
DOI: 10.17188/1207390
title: Materials Data on Sr(PO3)2 by Materials Project

description: Sr(PO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.76 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.83 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.51 Å) and two longer (1.60 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the fourth P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two Sr2+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1207391
title: Materials Data on Ca3SiO5 by Materials Project

description: Ca3SiO5 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with four equivalent SiO4 tetrahedra, edges with four equivalent CaO6 octahedra, and faces with two equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 2–74°. There are a spread of Ca–O bond distances ranging from 2.32–2.50 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–68°. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ca2+ and one Si4+ atom. In the second O2- site, O2- is bonded to six equivalent Ca2+ atoms to form OCa6 octahedra that share corners with six equivalent OCa3Si tetrahedra and faces with two equivalent OCa6 octahedra. In the third O2- site, O2- is bonded to three equivalent Ca2+ and one Si4+ atom to form corner-sharing OCa3Si tetrahedra. The corner-sharing octahedra tilt angles range from 13–59°.
DOI: 10.17188/1207392
title: Materials Data on KN3O4 by Materials Project

description: (K(NO2)2)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four ammonia molecules and one K(NO2)2 framework. In the K(NO2)2 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.31 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–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 equivalent K1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom.
DOI: 10.17188/1207393
title: Materials Data on LiGdSe2 by Materials Project

description: LiGdSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six Se2- atoms to form LiSe6 octahedra that share corners with two equivalent GdSe6 octahedra, corners with four equivalent LiSe6 octahedra, edges with four equivalent LiSe6 octahedra, and edges with eight equivalent GdSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.88 Å) and two longer (2.91 Å) Li–Se bond lengths. Gd3+ is bonded to six Se2- atoms to form GdSe6 octahedra that share corners with two equivalent LiSe6 octahedra, corners with four equivalent GdSe6 octahedra, edges with four equivalent GdSe6 octahedra, and edges with eight equivalent LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.88 Å) and two longer (2.89 Å) Gd–Se bond lengths. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.88 Å) and one longer (2.89 Å) Se–Gd bond lengths. In the third Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.88 Å) and one longer (2.91 Å) Se–Li bond lengths. There are two shorter (2.88 Å) and one longer (2.89 Å) Se–Gd bond lengths. In the fifth Se2- site, Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.88 Å) and one longer (2.89 Å) Se–Gd bond lengths.
DOI: 10.17188/1207394
title: Materials Data on ErBRh3 by Materials Project

description: ErRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Rh atoms to form ErRh12 cuboctahedra that share corners with twelve equivalent ErRh12 cuboctahedra, faces with six equivalent ErRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Er–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Er and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhEr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.10 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent ErRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.