cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262771
title: Materials Data on BaEr2CuO5 by Materials Project

description: Er2BaCuO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.63–3.28 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with four equivalent ErO7 pentagonal bipyramids, edges with three equivalent ErO7 pentagonal bipyramids, edges with two equivalent CuO5 square pyramids, a faceface with one ErO7 pentagonal bipyramid, and a faceface with one CuO5 square pyramid. There are a spread of Er–O bond distances ranging from 2.28–2.37 Å. In the second Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with five equivalent CuO5 square pyramids, edges with five ErO7 pentagonal bipyramids, an edgeedge with one CuO5 square pyramid, and a faceface with one ErO7 pentagonal bipyramid. There are a spread of Er–O bond distances ranging from 2.26–2.38 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with five equivalent ErO7 pentagonal bipyramids, edges with three ErO7 pentagonal bipyramids, and a faceface with one ErO7 pentagonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.99–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ba2+, two Er3+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OBa3Er2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, three Er3+, and one Cu2+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three Er3+, and one Cu2+ atom.
DOI: 10.17188/1262773
title: Materials Data on CsBa2Nb3O10 by Materials Project

description: CsBa2Nb3O10 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Cs–O bond lengths are 3.26 Å. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with eight equivalent BaO12 cuboctahedra, faces with five equivalent BaO12 cuboctahedra, and faces with four equivalent NbO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.81–3.07 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (2.05 Å) Nb–O bond length. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.00 Å) and four longer (2.01 Å) Nb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to four equivalent Ba2+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1262774
title: Materials Data on CsLa2CuSe4 by Materials Project

description: CsLa2CuSe4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.55–4.05 Å. La3+ is bonded to six Se2- atoms to form LaSe6 octahedra that share corners with three equivalent LaSe6 octahedra, a cornercorner with one CuSe4 tetrahedra, edges with five equivalent LaSe6 octahedra, and edges with two equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 0–33°. There are a spread of La–Se bond distances ranging from 2.94–3.12 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with two equivalent LaSe6 octahedra, corners with two equivalent CuSe4 tetrahedra, and edges with four equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are two shorter (2.50 Å) and two longer (2.53 Å) Cu–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Cs1+, three equivalent La3+, and one Cu1+ atom to form a mixture of distorted face, edge, and corner-sharing SeCs2La3Cu octahedra. The corner-sharing octahedra tilt angles range from 3–69°. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent La3+, and two equivalent Cu1+ atoms. In the third Se2- site, Se2- is bonded to two equivalent Cs1+ and four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SeCs2La4 octahedra. The corner-sharing octahedra tilt angles range from 3–46°.
DOI: 10.17188/1262775
title: Materials Data on Eu2Si2O7 by Materials Project

description: Eu2Si2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.64 Å. In the second Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.72 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Eu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Eu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and two Si4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Eu3+ and one Si4+ atom.
DOI: 10.17188/1262776
title: Materials Data on NiPS by Materials Project

description: NiPS is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ni3+ is bonded to three equivalent P1- and three equivalent S2- atoms to form NiP3S3 octahedra that share corners with twelve equivalent NiP3S3 octahedra, corners with three equivalent PNi3S tetrahedra, and corners with three equivalent SNi3P tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Ni–P bond lengths are 2.29 Å. All Ni–S bond lengths are 2.35 Å. P1- is bonded to three equivalent Ni3+ and one S2- atom to form PNi3S tetrahedra that share corners with three equivalent NiP3S3 octahedra, corners with six equivalent PNi3S tetrahedra, and corners with nine equivalent SNi3P tetrahedra. The corner-sharing octahedral tilt angles are 77°. The P–S bond length is 2.15 Å. S2- is bonded to three equivalent Ni3+ and one P1- atom to form SNi3P tetrahedra that share corners with three equivalent NiP3S3 octahedra, corners with six equivalent SNi3P tetrahedra, and corners with nine equivalent PNi3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.
DOI: 10.17188/1262777
title: Materials Data on NaV2O5 by Materials Project

description: NaV2O5 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.50–2.80 Å. There are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.64–1.99 Å. In the second V+4.50+ site, V+4.50+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one V+4.50+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and three V+4.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two V+4.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one V+4.50+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three V+4.50+ atoms.
DOI: 10.17188/1262779
title: Materials Data on TiSiRu by Materials Project

description: TiRuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent RuSi4 tetrahedra. There are four shorter (2.71 Å) and one longer (2.74 Å) Ti–Si bond lengths. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent RuSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent RuSi4 tetrahedra. There are a spread of Ru–Si bond distances ranging from 2.40–2.43 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Ru2+ atoms.
DOI: 10.17188/1262780
title: Materials Data on Cs2PdC2 by Materials Project

description: Cs2PdC2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. All Cs–C bond lengths are 3.36 Å. Pd2+ is bonded in a linear geometry to two equivalent C2- atoms. Both Pd–C bond lengths are 2.02 Å. C2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Pd2+, and one C2- atom. The C–C bond length is 1.27 Å.
DOI: 10.17188/1262781
title: Materials Data on Cs2PtC2 by Materials Project

description: Cs2PtC2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt2- atoms. All Cs–Pt bond lengths are 3.61 Å. Pt2- is bonded in a distorted linear geometry to six equivalent Cs1+ and two equivalent C atoms. Both Pt–C bond lengths are 1.99 Å. C is bonded in a linear geometry to one Pt2- and one C atom. The C–C bond length is 1.28 Å.
DOI: 10.17188/1262782
title: Materials Data on MgPd by Materials Project

description: MgPd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mg–Pd bond lengths are 2.76 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1262783
title: Materials Data on Li5ReO6 by Materials Project

description: Li5ReO6 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent ReO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. There are a spread of Li–O bond distances ranging from 2.08–2.11 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent ReO6 octahedra, corners with four equivalent LiO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are four shorter (2.07 Å) and two longer (2.28 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent ReO6 octahedra, corners with four equivalent LiO6 octahedra, edges with two equivalent ReO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Li–O bond distances ranging from 2.09–2.17 Å. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six LiO6 octahedra and edges with twelve LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There is two shorter (1.90 Å) and four longer (1.91 Å) Re–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Li1+ and one Re7+ atom to form a mixture of edge and corner-sharing OLi5Re octahedra. The corner-sharing octahedra tilt angles range from 0–11°. In the second O2- site, O2- is bonded to five Li1+ and one Re7+ atom to form a mixture of edge and corner-sharing OLi5Re octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1262784
title: Materials Data on YAl3Ni2 by Materials Project

description: YNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Y–Ni bond lengths are 3.12 Å. There are six shorter (3.18 Å) and six longer (3.31 Å) Y–Al bond lengths. In the second Y site, Y is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Y–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Y and six Al atoms. All Ni–Al bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Y and four equivalent Ni atoms.
DOI: 10.17188/1262785
title: Materials Data on Al2SiO5 by Materials Project

description: Al2SiO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with four AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.83–2.02 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with three SiO4 tetrahedra, and edges with five AlO6 octahedra. The corner-sharing octahedra tilt angles range from 16–19°. There are a spread of Al–O bond distances ranging from 1.88–2.01 Å. In the third Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent AlO6 octahedra, corners with four SiO4 tetrahedra, and edges with four AlO6 octahedra. The corner-sharing octahedra tilt angles range from 16–19°. There are a spread of Al–O bond distances ranging from 1.90–1.96 Å. In the fourth Al3+ site, Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four SiO4 tetrahedra and edges with five AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–2.01 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 corners with eight AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with eight AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded to four Al3+ atoms to form distorted edge-sharing OAl4 trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Al3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a see-saw-like geometry to four Al3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one Si4+ atom.
DOI: 10.17188/1262786
title: Materials Data on DyZrSb by Materials Project

description: DyZrSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing DySb5 trigonal bipyramids. There are four shorter (3.11 Å) and one longer (3.17 Å) Dy–Sb bond lengths. Zr is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Zr–Sb bond lengths are 3.08 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Zr atoms.
DOI: 10.17188/1262787
title: Materials Data on La(MnSi)2 by Materials Project

description: LaMn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.15 Å. Mn+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing MnSi4 tetrahedra. All Mn–Si bond lengths are 2.38 Å. 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 2.73 Å.
DOI: 10.17188/1262788
title: Materials Data on SiNi2 by Materials Project

description: Ni2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to five equivalent Si4- atoms to form NiSi5 trigonal bipyramids that share corners with twelve equivalent NiSi6 octahedra, corners with eight equivalent NiSi5 trigonal bipyramids, edges with six equivalent NiSi5 trigonal bipyramids, and faces with six equivalent NiSi6 octahedra. The corner-sharing octahedra tilt angles range from 29–61°. There are three shorter (2.25 Å) and two longer (2.49 Å) Ni–Si bond lengths. In the second Ni2+ site, Ni2+ is bonded to six equivalent Si4- atoms to form NiSi6 octahedra that share corners with twelve equivalent NiSi6 octahedra, corners with twelve equivalent NiSi5 trigonal bipyramids, edges with six equivalent NiSi6 octahedra, faces with two equivalent NiSi6 octahedra, and faces with six equivalent NiSi5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. All Ni–Si bond lengths are 2.57 Å. Si4- is bonded in a 11-coordinate geometry to eleven Ni2+ atoms.
DOI: 10.17188/1262789
title: Materials Data on Rb2HgO2 by Materials Project

description: Rb2HgO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to five equivalent O2- atoms to form a mixture of edge and corner-sharing RbO5 square pyramids. There are one shorter (2.80 Å) and four longer (3.02 Å) Rb–O bond lengths. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.00 Å. O2- is bonded to five equivalent Rb1+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing ORb5Hg octahedra. The corner-sharing octahedra tilt angles range from 0–15°.
DOI: 10.17188/1262790
title: Materials Data on RbNO3 by Materials Project

description: RbNO3 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.41 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.60 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom.
DOI: 10.17188/1262791
title: Materials Data on Sc3CoC4 by Materials Project

description: Sc3CoC4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to eight equivalent C2- atoms to form face-sharing ScC8 hexagonal bipyramids. All Sc–C bond lengths are 2.38 Å. In the second Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six equivalent C2- atoms. All Sc–C bond lengths are 2.37 Å. Co2+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Co–C bond lengths are 2.07 Å. C2- is bonded in a 7-coordinate geometry to five Sc2+, one Co2+, and one C2- atom. The C–C bond length is 1.45 Å.