cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1194044
title: Materials Data on BaMnP2O7 by Materials Project

description: BaMnP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.02 Å. Mn2+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with five PO4 tetrahedra and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 2.12–2.27 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 a cornercorner with one PO4 tetrahedra and corners with two equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with three equivalent MnO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Mn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent Mn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Mn2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Mn2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one P5+ atom.
DOI: 10.17188/1194045
title: Materials Data on La4Co3O10 by Materials Project

description: La4Co3O10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with eight LaO12 cuboctahedra, faces with five LaO12 cuboctahedra, and faces with eight CoO6 octahedra. There are a spread of La–O bond distances ranging from 2.70–2.84 Å. In the second La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with eight LaO12 cuboctahedra, faces with five LaO12 cuboctahedra, and faces with eight CoO6 octahedra. There are a spread of La–O bond distances ranging from 2.69–2.85 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.84 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.85 Å. There are three inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with five CoO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Co–O bond distances ranging from 1.94–2.20 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with five CoO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Co–O bond distances ranging from 1.94–2.19 Å. In the third Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six CoO6 octahedra and faces with eight LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.92 Å) and four longer (1.94 Å) Co–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Co+2.67+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Co+2.67+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Co+2.67+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Co+2.67+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Co+2.67+ atoms. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to four La3+ and two equivalent Co+2.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two Co+2.67+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to four La3+ and two equivalent Co+2.67+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two Co+2.67+ atoms. In the tenth O2- site, O2- is bonded in a distorted linear geometry to four La3+ and two equivalent Co+2.67+ atoms.
DOI: 10.17188/1194046
title: Materials Data on Ba3CrO5 by Materials Project

description: Ba3CrO5 crystallizes in the tetragonal I4/mcm 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 ten O2- atoms. There are two shorter (2.96 Å) and eight longer (3.08 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–3.01 Å. Cr4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Ba2+ atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Cr4+ atom.
DOI: 10.17188/1194047
title: Materials Data on CoSO4 by Materials Project

description: CoSO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are two shorter (2.02 Å) and four longer (2.19 Å) Co–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co2+ and one S6+ atom.
DOI: 10.17188/1194048
title: Materials Data on BaSm2NiO5 by Materials Project

description: Sm2BaNiO5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.96 Å) and eight longer (3.00 Å) Ba–O bond lengths. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.48 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.92 Å) and four longer (2.23 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Sm3+, and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Sm3+, and one Ni2+ atom.
DOI: 10.17188/1194049
title: Materials Data on Ni5P4 by Materials Project

description: Ni5P4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to five P+2.50- atoms to form distorted NiP5 trigonal bipyramids that share corners with two equivalent PNiP3 tetrahedra, corners with five equivalent NiP4 tetrahedra, corners with eight NiP5 trigonal bipyramids, corners with two equivalent NiP4 trigonal pyramids, edges with two equivalent NiP4 tetrahedra, edges with three NiP5 trigonal bipyramids, and a faceface with one NiP5 trigonal bipyramid. There are a spread of Ni–P bond distances ranging from 2.29–2.46 Å. In the second Ni2+ site, Ni2+ is bonded to four P+2.50- atoms to form NiP4 trigonal pyramids that share corners with twelve NiP5 trigonal bipyramids and edges with three equivalent NiP4 tetrahedra. There are three shorter (2.16 Å) and one longer (2.19 Å) Ni–P bond lengths. In the third Ni2+ site, Ni2+ is bonded to four P+2.50- atoms to form distorted NiP4 tetrahedra that share a cornercorner with one PNiP3 tetrahedra, corners with four equivalent NiP4 tetrahedra, corners with ten NiP5 trigonal bipyramids, edges with four NiP5 trigonal bipyramids, and an edgeedge with one NiP4 trigonal pyramid. There are a spread of Ni–P bond distances ranging from 2.27–2.46 Å. In the fourth Ni2+ site, Ni2+ is bonded to five P+2.50- atoms to form distorted NiP5 trigonal bipyramids that share corners with two equivalent PNiP3 tetrahedra, corners with five equivalent NiP4 tetrahedra, corners with eight NiP5 trigonal bipyramids, corners with two equivalent NiP4 trigonal pyramids, edges with two equivalent NiP4 tetrahedra, edges with three NiP5 trigonal bipyramids, and a faceface with one NiP5 trigonal bipyramid. There are a spread of Ni–P bond distances ranging from 2.28–2.41 Å. There are four inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded in a q6 geometry to nine Ni2+ atoms. In the second P+2.50- site, P+2.50- is bonded to one Ni2+ and three equivalent P+2.50- atoms to form PNiP3 tetrahedra that share corners with three equivalent NiP4 tetrahedra and corners with twelve NiP5 trigonal bipyramids. All P–P bond lengths are 2.20 Å. In the third P+2.50- site, P+2.50- is bonded in a 6-coordinate geometry to five Ni2+ and one P+2.50- atom. In the fourth P+2.50- site, P+2.50- is bonded in a 7-coordinate geometry to seven Ni2+ atoms.
DOI: 10.17188/1194050
title: Materials Data on Tb2Mo2O7 by Materials Project

description: Tb2Mo2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.50 Å) Tb–O bond lengths. Mo4+ is bonded to six equivalent O2- atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Mo–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with sixteen OTb4 tetrahedra and edges with six equivalent OTb2Mo2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Mo4+ atoms to form a mixture of distorted corner and edge-sharing OTb2Mo2 tetrahedra.
DOI: 10.17188/1194052
title: Materials Data on MgCr2O4 by Materials Project

description: MgCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Mg–O bond lengths are 2.00 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent MgO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.03 Å. O2- is bonded to one Mg2+ and three equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OMgCr3 trigonal pyramids.
DOI: 10.17188/1194053
title: Materials Data on BaCo2Si2O7 by Materials Project

description: BaCo2Si2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.20 Å. There are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to five O2- atoms to form distorted CoO5 trigonal bipyramids that share a cornercorner with one CoO4 tetrahedra, corners with three SiO4 tetrahedra, an edgeedge with one SiO4 tetrahedra, and an edgeedge with one CoO5 trigonal bipyramid. There are a spread of Co–O bond distances ranging from 2.01–2.37 Å. In the second Co2+ site, Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with four SiO4 tetrahedra and corners with two equivalent CoO5 trigonal bipyramids. There is two shorter (1.98 Å) and two longer (2.00 Å) Co–O bond length. In the third Co2+ site, Co2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.02–2.74 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 CoO4 tetrahedra, a cornercorner with one SiO4 tetrahedra, a cornercorner with one CoO5 trigonal bipyramid, and an edgeedge with one CoO5 trigonal bipyramid. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one CoO4 tetrahedra, a cornercorner with one SiO4 tetrahedra, and corners with two equivalent CoO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.64–1.68 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Co2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Co2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, two Co2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Co2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+ and two Si4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, two Co2+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, two equivalent Co2+, and one Si4+ atom.
DOI: 10.17188/1194054
title: Materials Data on ErVO3 by Materials Project

description: ErVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.71 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of V–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent V3+ atoms to form distorted corner-sharing OEr2V2 trigonal pyramids.
DOI: 10.17188/1194055
title: Materials Data on LiLa4CoO8 by Materials Project

description: LiLa4CoO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.92 Å) and two longer (2.36 Å) Li–O bond lengths. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.73 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.73 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.85 Å) and two longer (2.33 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five La3+ atoms to form a mixture of distorted corner and edge-sharing OLiLa5 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. In the second O2- site, O2- is bonded to five La3+ and one Co3+ atom to form distorted OLa5Co octahedra that share corners with five equivalent OLa5Co octahedra and edges with eight OLiLa5 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. In the third O2- site, O2- is bonded in a distorted linear geometry to one Li1+, four La3+, and one Co3+ atom.
DOI: 10.5517/ccwmwcq
title: CCDC 823464: Experimental Crystal Structure Determination

description: Related Article: D.Sarma, S.Natarajan|2011|Indian J.Chem.,Sect.A:Inorg.,Bio-inorg.,Phys.,Theor.Anal.Chem.|50|1281|
DOI: 10.17188/1194056
title: Materials Data on Sr2CoWO6 by Materials Project

description: Sr2CoWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.20 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There is two shorter (1.95 Å) and four longer (1.96 Å) W–O bond length. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.10 Å) and four longer (2.12 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one W6+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one W6+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Sr2+, one W6+, and one Co2+ atom.
DOI: 10.17188/1194057
title: Materials Data on La2MnCoO6 by Materials Project

description: La2CoMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.80 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There is two shorter (1.95 Å) and four longer (1.96 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are a spread of Co–O bond distances ranging from 2.06–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one Mn2+, and one Co4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Co4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Co4+ atom.
DOI: 10.5517/ccdc.csd.cc249x5k
title: CCDC 1975728: Experimental Crystal Structure Determination

description: Related Article: Aroussia Hachani, Imen Dridi, Abdelhak Othmani, Thierry Roisnel, Humbel Stephane, Kefi Riadh|2021|J.Mol.Struct.|1229|129838|doi:10.1016/j.molstruc.2020.129838
DOI: 10.17188/1194058
title: Materials Data on LiAl(MoO4)2 by Materials Project

description: LiAl(MoO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.25 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.46 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 15–44°. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with three equivalent MoO4 tetrahedra and an edgeedge with one AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.95 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Mo6+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Mo6+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Mo6+, and one Al3+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Al3+ atom.
DOI: 10.17188/1194059
title: Materials Data on ThTe by Materials Project

description: ThTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All Th–Te bond lengths are 3.34 Å. Te is bonded in a body-centered cubic geometry to eight equivalent Th atoms.
DOI: 10.5517/ccdc.csd.cc254bm9
title: CCDC 2000170: Experimental Crystal Structure Determination

description: Related Article: Dan Liu, Jing Sun, Ju Xie, Huizhong Shi, Chao-Guo Yan|2021|J.Org.Chem.|86|1827|doi:10.1021/acs.joc.0c02645
DOI: 10.5517/ccdc.csd.cc254bnb
title: CCDC 2000171: Experimental Crystal Structure Determination

description: Related Article: Dan Liu, Jing Sun, Ju Xie, Huizhong Shi, Chao-Guo Yan|2021|J.Org.Chem.|86|1827|doi:10.1021/acs.joc.0c02645
DOI: 10.17188/1194060
title: Materials Data on CoPtO2 by Materials Project

description: PtCoO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.92 Å. Pt2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pt–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Co2+ and one Pt2+ atom to form a mixture of distorted corner and edge-sharing OCo3Pt trigonal pyramids.
DOI: 10.5517/ccdc.csd.cc254bpc
title: CCDC 2000172: Experimental Crystal Structure Determination

description: Related Article: Dan Liu, Jing Sun, Ju Xie, Huizhong Shi, Chao-Guo Yan|2021|J.Org.Chem.|86|1827|doi:10.1021/acs.joc.0c02645