cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316726
title: Materials Data on Na3BrO by Materials Project

description: Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.
DOI: 10.17188/1316727
title: Materials Data on Al2O3 by Materials Project

description: Al2O3 crystallizes in the trigonal P321 space group. The structure is two-dimensional and consists of one Al2O3 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.75 Å) and three longer (2.42 Å) Al–O bond lengths. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form a mixture of distorted edge, face, and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is three shorter (1.82 Å) and three longer (2.11 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There is three shorter (1.85 Å) and three longer (2.07 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to six Al3+ atoms.
DOI: 10.17188/1316728
title: Materials Data on FeCl by Materials Project

description: FeCl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Fe–Cl bond lengths are 2.69 Å. Cl is bonded in a body-centered cubic geometry to eight equivalent Fe atoms.
DOI: 10.17188/1316729
title: Materials Data on SiO2 by Materials Project

description: SiO2 is Low Tridymite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1316730
title: Materials Data on Li6PS5Br by Materials Project

description: Li6PS5Br crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one Li6PS5 framework. In the Li6PS5 framework, Li1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.34 Å) and two longer (2.43 Å) Li–S bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All P–S bond lengths are 2.06 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to six equivalent Li1+ atoms to form corner-sharing SLi6 octahedra. In the second S2- site, S2- is bonded to three equivalent Li1+ and one P5+ atom to form SLi3P tetrahedra that share corners with three equivalent SLi6 octahedra and corners with six equivalent SLi3P tetrahedra. The corner-sharing octahedral tilt angles are 54°.
DOI: 10.17188/1316731
title: Materials Data on Li6PS5Cl by Materials Project

description: Li6PS5Cl crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Li6PS5 framework. In the Li6PS5 framework, Li1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.33 Å) and two longer (2.42 Å) Li–S bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All P–S bond lengths are 2.06 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to six equivalent Li1+ atoms to form corner-sharing SLi6 octahedra. In the second S2- site, S2- is bonded to three equivalent Li1+ and one P5+ atom to form SLi3P tetrahedra that share corners with three equivalent SLi6 octahedra and corners with six equivalent SLi3P tetrahedra. The corner-sharing octahedral tilt angles are 54°.
DOI: 10.17188/1316732
title: Materials Data on NaAg(CO2)2 by Materials Project

description: NaAg(CO2)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 65–82°. There are a spread of Na–O bond distances ranging from 2.32–2.80 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. 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 (1.26 Å) and one longer (1.28 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 (1.26 Å) and one longer (1.27 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one C3+ atom to form distorted corner-sharing ONa3C tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom.
DOI: 10.17188/1316733
title: Materials Data on NaAg(CO2)2 by Materials Project

description: NaAg(CO2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.34–2.73 Å. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.94 Å. 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 (1.26 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one Ag1+, and one C3+ atom to form distorted corner-sharing ONa2AgC tetrahedra.
DOI: 10.17188/1316735
title: Materials Data on Cs2ZrSe3 by Materials Project

description: Cs2ZrSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.69–4.18 Å. Zr4+ is bonded to five Se2- atoms to form distorted edge-sharing ZrSe5 trigonal bipyramids. There are one shorter (2.50 Å) and four longer (2.68 Å) Zr–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to six equivalent Cs1+ and one Zr4+ atom. In the second Se2- site, Se2- is bonded to four equivalent Cs1+ and two equivalent Zr4+ atoms to form a mixture of distorted face, edge, and corner-sharing SeCs4Zr2 octahedra. The corner-sharing octahedra tilt angles range from 34–48°.
DOI: 10.17188/1316736
title: Materials Data on Cs3Ni by Materials Project

description: Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and four equivalent Ni atoms. There are four shorter (4.42 Å) and four longer (4.55 Å) Cs–Cs bond lengths. All Cs–Ni bond lengths are 4.42 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Cs atoms. Ni is bonded in a 8-coordinate geometry to eight equivalent Cs atoms.
DOI: 10.17188/1316737
title: Materials Data on NaAg(CO2)2 by Materials Project

description: NaAg(CO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.32–2.59 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.88 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Ag1+, and one C3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Ag1+, and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag1+ and one C3+ atom.
DOI: 10.17188/1316738
title: Materials Data on Na3Mn2SbO6 by Materials Project

description: Na3Mn2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–13°. There are four shorter (2.39 Å) and two longer (2.58 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent SbO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–14°. There are a spread of Na–O bond distances ranging from 2.40–2.52 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent SbO6 octahedra, and edges with six NaO6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are two shorter (2.24 Å) and four longer (2.25 Å) Mn–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two shorter (2.04 Å) and four longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+, two equivalent Mn2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Mn2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded to three Na1+, two equivalent Mn2+, and one Sb5+ atom to form a mixture of edge and corner-sharing ONa3Mn2Sb octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1316739
title: Materials Data on Li2Si4O7 by Materials Project

description: Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.76–1.85 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two Si atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Si atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Li and two Si atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Li and two Si atoms.
DOI: 10.17188/1316741
title: Materials Data on Ba3Si6(NO6)2 by Materials Project

description: Ba3Si6O12N2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to one N3- and nine O2- atoms. The Ba–N bond length is 3.06 Å. There are a spread of Ba–O bond distances ranging from 2.87–3.27 Å. In the second Ba2+ site, Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent SiNO3 tetrahedra. All Ba–O bond lengths are 2.78 Å. Si4+ is bonded to one N3- and three O2- atoms to form SiNO3 tetrahedra that share a cornercorner with one BaO6 octahedra and corners with four equivalent SiNO3 tetrahedra. The corner-sharing octahedral tilt angles are 67°. The Si–N bond length is 1.75 Å. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. N3- is bonded in a distorted trigonal planar geometry to one Ba2+ and three equivalent Si4+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1316742
title: Materials Data on CsV5S8 by Materials Project

description: CsV5S8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded to ten S2- atoms to form distorted CsS10 cuboctahedra that share corners with fourteen VS6 octahedra, edges with six VS6 octahedra, faces with two equivalent CsS10 cuboctahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 14–49°. There are a spread of Cs–S bond distances ranging from 3.45–3.50 Å. There are three inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six S2- atoms to form VS6 octahedra that share corners with four equivalent VS6 octahedra, edges with four equivalent CsS10 cuboctahedra, and edges with six VS6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.41 Å) and two longer (2.43 Å) V–S bond lengths. In the second V3+ site, V3+ is bonded to six S2- atoms to form VS6 octahedra that share corners with three equivalent CsS10 cuboctahedra, corners with four equivalent VS6 octahedra, an edgeedge with one CsS10 cuboctahedra, edges with six VS6 octahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of V–S bond distances ranging from 2.29–2.60 Å. In the third V3+ site, V3+ is bonded to six S2- atoms to form VS6 octahedra that share corners with four equivalent CsS10 cuboctahedra, corners with six VS6 octahedra, edges with four equivalent VS6 octahedra, a faceface with one CsS10 cuboctahedra, and a faceface with one VS6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of V–S bond distances ranging from 2.39–2.50 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+ and four V3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three V3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three equivalent V3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five V3+ atoms.
DOI: 10.17188/1316743
title: Materials Data on ErCrB4 by Materials Project

description: ErCrB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.58–2.72 Å. Cr3+ is bonded in a 10-coordinate geometry to one Cr3+ and ten B+1.50- atoms. The Cr–Cr bond length is 2.36 Å. There are a spread of Cr–B bond distances ranging from 2.24–2.30 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and two longer (1.81 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr3+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Cr3+, and three B+1.50- atoms. The B–B bond length is 1.71 Å.
DOI: 10.17188/1316744
title: Materials Data on AgAs3H2O9 by Materials Project

description: AgAs3H2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.76 Å. There are three inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of As–O bond distances ranging from 1.66–1.77 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of As–O bond distances ranging from 1.68–1.76 Å. In the third As5+ site, As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with four AsO4 tetrahedra and an edgeedge with one AsO6 octahedra. There are a spread of As–O bond distances ranging from 1.84–1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ag1+, one As5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+, one As5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two As5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+ and two equivalent As5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two As5+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+, one As5+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms.
DOI: 10.17188/1316745
title: Materials Data on AgPb3 by Materials Project

description: AgPb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Pb atoms to form AgPb12 cuboctahedra that share corners with six equivalent AgPb12 cuboctahedra, corners with twelve equivalent PbAg4Pb8 cuboctahedra, edges with eighteen equivalent PbAg4Pb8 cuboctahedra, faces with eight equivalent AgPb12 cuboctahedra, and faces with twelve equivalent PbAg4Pb8 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.45 Å) Ag–Pb bond lengths. Pb is bonded to four equivalent Ag and eight equivalent Pb atoms to form distorted PbAg4Pb8 cuboctahedra that share corners with four equivalent AgPb12 cuboctahedra, corners with fourteen equivalent PbAg4Pb8 cuboctahedra, edges with six equivalent AgPb12 cuboctahedra, edges with twelve equivalent PbAg4Pb8 cuboctahedra, faces with four equivalent AgPb12 cuboctahedra, and faces with sixteen equivalent PbAg4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.36–3.54 Å.
DOI: 10.17188/1316746
title: Materials Data on Ce2ReC2 by Materials Project

description: Ce2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a rectangular see-saw-like geometry to four C atoms. There are a spread of Ce–C bond distances ranging from 2.61–2.64 Å. In the second Ce site, Ce is bonded to five C atoms to form a mixture of distorted corner and edge-sharing CeC5 square pyramids. There are a spread of Ce–C bond distances ranging from 2.57–2.68 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.97–2.02 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ce and one Re atom to form a mixture of corner and edge-sharing CCe5Re octahedra. The corner-sharing octahedra tilt angles range from 6–40°. In the second C site, C is bonded to four Ce and two equivalent Re atoms to form a mixture of corner and edge-sharing CCe4Re2 octahedra. The corner-sharing octahedra tilt angles range from 9–40°.