cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1350185
title: Materials Data on CaGaSnH by Materials Project

description: CaGaSnH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Sn and three equivalent H atoms. All Ca–Sn bond lengths are 3.37 Å. All Ca–H bond lengths are 2.54 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Sn and one H atom. All Ga–Sn bond lengths are 2.67 Å. The Ga–H bond length is 1.73 Å. Sn is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.
DOI: 10.17188/1350186
title: Materials Data on GaFeNi2 by Materials Project

description: Ni2FeGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Fe–Ni bond lengths are 2.49 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.49 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1350187
title: Materials Data on ErGa by Materials Project

description: ErGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Er–Ga bond distances ranging from 3.02–3.17 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Er and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.62 Å.
DOI: 10.17188/1350188
title: Materials Data on VCoSn by Materials Project

description: CoVSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Sn atoms. All V–Co bond lengths are 2.57 Å. All V–Sn bond lengths are 2.57 Å. Co is bonded to four equivalent V atoms to form distorted CoV4 tetrahedra that share corners with four equivalent SnV4 tetrahedra, corners with twelve equivalent CoV4 tetrahedra, and edges with six equivalent SnV4 tetrahedra. Sn is bonded to four equivalent V atoms to form distorted SnV4 tetrahedra that share corners with four equivalent CoV4 tetrahedra, corners with twelve equivalent SnV4 tetrahedra, and edges with six equivalent CoV4 tetrahedra.
DOI: 10.17188/1350189
title: Materials Data on NbTe2 by Materials Project

description: NbTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Te2- atoms to form edge-sharing NbTe6 octahedra. All Nb–Te bond lengths are 2.82 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.
DOI: 10.17188/1350190
title: Materials Data on PmN by Materials Project

description: PmN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing PmN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pm–N bond lengths are 2.56 Å. N3- is bonded to six equivalent Pm3+ atoms to form a mixture of edge and corner-sharing NPm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350191
title: Materials Data on NbInSe2 by Materials Project

description: NbInSe2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. All In–Se bond lengths are 3.30 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent Nb3+ and three equivalent In1+ atoms.
DOI: 10.17188/1350192
title: Materials Data on CaGaGeH by Materials Project

description: CaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Ge and three equivalent H atoms. All Ca–Ge bond lengths are 3.15 Å. All Ca–H bond lengths are 2.42 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.49 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.
DOI: 10.17188/1350193
title: Materials Data on CaGaSiH by Materials Project

description: CaGaSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca2+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- and three equivalent H1- atoms. All Ca–Si bond lengths are 3.14 Å. All Ca–H bond lengths are 2.39 Å. Ga3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Ga–Si bond lengths are 2.43 Å. The Ga–H bond length is 1.75 Å. Si4- is bonded in a 6-coordinate geometry to three equivalent Ca2+ and three equivalent Ga3+ atoms. H1- is bonded to three equivalent Ca2+ and one Ga3+ atom to form corner-sharing HCa3Ga trigonal pyramids.
DOI: 10.17188/1350194
title: Materials Data on PtC by Materials Project

description: PtC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded to six equivalent C2+ atoms to form a mixture of edge and corner-sharing PtC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–C bond lengths are 2.24 Å. C2+ is bonded to six equivalent Pt2- atoms to form a mixture of edge and corner-sharing CPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350195
title: Materials Data on TiAu2 by Materials Project

description: Au2Ti is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are eight shorter (2.83 Å) and two longer (2.89 Å) Ti–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Ti2+ atoms.
DOI: 10.17188/1350196
title: Materials Data on CrN by Materials Project

description: CrN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.91 Å. N3- is bonded to four equivalent Cr3+ atoms to form corner-sharing NCr4 tetrahedra.
DOI: 10.17188/1350197
title: Materials Data on LaBiPt by Materials Project

description: LaBiPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing LaBi6Pt4 tetrahedra. All La–Pt bond lengths are 3.02 Å. All La–Bi bond lengths are 3.48 Å. Pt is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Pt–Bi bond lengths are 3.02 Å. Bi is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Pt atoms.
DOI: 10.17188/1350198
title: Materials Data on ScAg2 by Materials Project

description: Ag2Sc is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted q6 geometry to ten equivalent Ag atoms. There are eight shorter (2.93 Å) and two longer (3.00 Å) Sc–Ag bond lengths. Ag is bonded in a 10-coordinate geometry to five equivalent Sc and five equivalent Ag atoms. There are four shorter (2.95 Å) and one longer (2.97 Å) Ag–Ag bond lengths.
DOI: 10.17188/1350199
title: Materials Data on PaC2 by Materials Project

description: PaC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa4+ is bonded in a distorted q4 geometry to ten equivalent C2- atoms. There are two shorter (2.37 Å) and eight longer (2.65 Å) Pa–C bond lengths. C2- is bonded in a 2-coordinate geometry to five equivalent Pa4+ and one C2- atom. The C–C bond length is 1.37 Å.
DOI: 10.17188/1350200
title: Materials Data on Ba2BrN by Materials Project

description: Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.84 Å. All Ba–Br bond lengths are 3.49 Å. N3- is bonded to six equivalent Ba2+ atoms to form edge-sharing NBa6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms.
DOI: 10.17188/1350201
title: Materials Data on LuAg2 by Materials Project

description: Ag2Lu is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted q6 geometry to ten equivalent Ag atoms. All Lu–Ag bond lengths are 3.03 Å. Ag is bonded in a 10-coordinate geometry to five equivalent Lu and five equivalent Ag atoms. There are four shorter (3.02 Å) and one longer (3.04 Å) Ag–Ag bond lengths.
DOI: 10.17188/1350202
title: Materials Data on MnFe2Ge by Materials Project

description: Fe2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ge atoms. All Mn–Fe bond lengths are 2.47 Å. All Mn–Ge bond lengths are 2.85 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.47 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Fe atoms.
DOI: 10.17188/1350203
title: Materials Data on CeGa by Materials Project

description: CeGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.13–3.25 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Ce and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.62 Å.
DOI: 10.17188/1350204
title: Materials Data on AlAu2 by Materials Project

description: Au2Al crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded in a 10-coordinate geometry to five equivalent Al atoms. There are four shorter (2.76 Å) and one longer (3.09 Å) Au–Al bond lengths. Al is bonded in a 10-coordinate geometry to ten equivalent Au atoms.
DOI: 10.17188/1350205
title: Materials Data on DySb2 by Materials Project

description: DySb2 is trigonal omega structured and crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of one DySb2 sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded in a 4-coordinate geometry to four equivalent Sb+1.50- atoms. All Dy–Sb bond lengths are 3.06 Å. Sb+1.50- is bonded in a 2-coordinate geometry to two equivalent Dy3+ atoms.
DOI: 10.17188/1350206
title: Materials Data on GdFeC2 by Materials Project

description: GdFeC2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight equivalent C3- atoms. There are four shorter (2.65 Å) and four longer (2.71 Å) Gd–C bond lengths. Fe3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There is two shorter (1.92 Å) and two longer (1.99 Å) Fe–C bond length. C3- is bonded in a 7-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and one C3- atom. The C–C bond length is 1.40 Å.
DOI: 10.17188/1350207
title: Materials Data on Pt2W by Materials Project

description: Pt2W crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W4+ is bonded in a distorted q6 geometry to ten equivalent Pt2- atoms. There are eight shorter (2.79 Å) and two longer (2.82 Å) W–Pt bond lengths. Pt2- is bonded to five equivalent W4+ and seven equivalent Pt2- atoms to form a mixture of edge, face, and corner-sharing PtPt7W5 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.73–2.83 Å.
DOI: 10.17188/1350208
title: Materials Data on Hf2Cd by Materials Project

description: Hf2Cd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to eight equivalent Hf and four equivalent Cd atoms. There are four shorter (3.06 Å) and four longer (3.28 Å) Hf–Hf bond lengths. All Hf–Cd bond lengths are 3.11 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1350209
title: Materials Data on CrGaP2 by Materials Project

description: CrGaP2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent P3- atoms to form CrP4 tetrahedra that share corners with four equivalent CrP4 tetrahedra and corners with eight equivalent GaP4 tetrahedra. All Cr–P bond lengths are 2.34 Å. Ga3+ is bonded to four equivalent P3- atoms to form GaP4 tetrahedra that share corners with four equivalent GaP4 tetrahedra and corners with eight equivalent CrP4 tetrahedra. All Ga–P bond lengths are 2.39 Å. P3- is bonded to two equivalent Cr3+ and two equivalent Ga3+ atoms to form corner-sharing PCr2Ga2 tetrahedra.
DOI: 10.17188/1350210
title: Materials Data on TbSb2 by Materials Project

description: TbSb2 is trigonal omega structured and crystallizes in the orthorhombic C222 space group. The structure is two-dimensional and consists of one TbSb2 sheet oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 4-coordinate geometry to four equivalent Sb+1.50- atoms. All Tb–Sb bond lengths are 3.07 Å. Sb+1.50- is bonded in a 2-coordinate geometry to two equivalent Tb3+ atoms.
DOI: 10.17188/1350211
title: Materials Data on NbN by Materials Project

description: NbN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb3+ is bonded to four equivalent N3- atoms to form corner-sharing NbN4 tetrahedra. All Nb–N bond lengths are 2.08 Å. N3- is bonded to four equivalent Nb3+ atoms to form corner-sharing NNb4 tetrahedra.
DOI: 10.17188/1350212
title: Materials Data on Ba2NF by Materials Project

description: Ba2NF is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent F1- atoms to form a mixture of edge and corner-sharing BaN3F3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.79 Å. All Ba–F bond lengths are 2.99 Å. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent FBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six equivalent FBa6 octahedra. The corner-sharing octahedral tilt angles are 5°. F1- is bonded to six equivalent Ba2+ atoms to form FBa6 octahedra that share corners with six equivalent NBa6 octahedra, edges with six equivalent NBa6 octahedra, and edges with six equivalent FBa6 octahedra. The corner-sharing octahedral tilt angles are 5°.
DOI: 10.17188/1350213
title: Materials Data on Tm by Materials Project

description: Tm is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Tm atoms to form a mixture of edge, corner, and face-sharing TmTm12 cuboctahedra. There are six shorter (3.47 Å) and six longer (3.51 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to twelve Tm atoms to form a mixture of edge, corner, and face-sharing TmTm12 cuboctahedra. There are three shorter (3.45 Å) and six longer (3.51 Å) Tm–Tm bond lengths. In the third Tm site, Tm is bonded to twelve Tm atoms to form a mixture of edge, corner, and face-sharing TmTm12 cuboctahedra. All Tm–Tm bond lengths are 3.51 Å. In the fourth Tm site, Tm is bonded to twelve Tm atoms to form a mixture of edge, corner, and face-sharing TmTm12 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.45–3.51 Å.
DOI: 10.17188/1350214
title: Materials Data on CoSnRh2 by Materials Project

description: Rh2CoSn is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Co and four equivalent Sn atoms. All Rh–Co bond lengths are 2.72 Å. All Rh–Sn bond lengths are 2.72 Å. Co is bonded to eight equivalent Rh and four equivalent Sn atoms to form distorted CoSn4Rh8 cuboctahedra that share corners with four equivalent CoSn4Rh8 cuboctahedra, corners with eight equivalent SnCo4Rh8 cuboctahedra, edges with eight equivalent CoSn4Rh8 cuboctahedra, faces with four equivalent CoSn4Rh8 cuboctahedra, and faces with six equivalent SnCo4Rh8 cuboctahedra. All Co–Sn bond lengths are 2.89 Å. Sn is bonded to eight equivalent Rh and four equivalent Co atoms to form distorted SnCo4Rh8 cuboctahedra that share corners with four equivalent SnCo4Rh8 cuboctahedra, corners with eight equivalent CoSn4Rh8 cuboctahedra, edges with eight equivalent SnCo4Rh8 cuboctahedra, faces with four equivalent SnCo4Rh8 cuboctahedra, and faces with six equivalent CoSn4Rh8 cuboctahedra.
DOI: 10.17188/1350215
title: Materials Data on AlBi by Materials Project

description: AlBi is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Al is bonded to four equivalent Bi atoms to form corner-sharing AlBi4 tetrahedra. All Al–Bi bond lengths are 2.79 Å. Bi is bonded to four equivalent Al atoms to form corner-sharing BiAl4 tetrahedra.
DOI: 10.17188/1350216
title: Materials Data on CrCdTe2 by Materials Project

description: CrCdTe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent Te2- atoms to form CrTe4 tetrahedra that share corners with four equivalent CrTe4 tetrahedra and corners with eight equivalent CdTe4 tetrahedra. All Cr–Te bond lengths are 2.71 Å. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with eight equivalent CrTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. Te2- is bonded to two equivalent Cr2+ and two equivalent Cd2+ atoms to form corner-sharing TeCr2Cd2 tetrahedra.
DOI: 10.17188/1350217
title: Materials Data on HoGa by Materials Project

description: HoGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Ho–Ga bond distances ranging from 3.04–3.18 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Ho and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.63 Å.
DOI: 10.17188/1350218
title: Materials Data on ZrAu2 by Materials Project

description: Au2Zr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a distorted q6 geometry to ten equivalent Au1- atoms. There are two shorter (2.94 Å) and eight longer (2.96 Å) Zr–Au bond lengths. Au1- is bonded in a 10-coordinate geometry to five equivalent Zr2+ atoms.
DOI: 10.17188/1350219
title: Materials Data on FeSe by Materials Project

description: FeSe is Tetraauricupride structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Fe2+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are four shorter (2.62 Å) and four longer (2.66 Å) Fe–Se bond lengths. Se2- is bonded in a body-centered cubic geometry to eight equivalent Fe2+ atoms.
DOI: 10.17188/1350220
title: Materials Data on HfAu2 by Materials Project

description: Au2Hf crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a distorted q6 geometry to ten equivalent Au atoms. There are eight shorter (2.93 Å) and two longer (2.94 Å) Hf–Au bond lengths. Au is bonded in a 10-coordinate geometry to five equivalent Hf atoms.
DOI: 10.17188/1350221
title: Materials Data on HoNiBi by Materials Project

description: HoNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Ho–Ni bond lengths are 2.80 Å. All Ho–Bi bond lengths are 3.23 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.80 Å. Bi is bonded in a distorted q6 geometry to six equivalent Ho and four equivalent Ni atoms.
DOI: 10.17188/1350222
title: Materials Data on BaCaO2 by Materials Project

description: BaCaO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form BaO6 octahedra that share corners with six equivalent BaO6 octahedra, edges with four equivalent BaO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.65 Å) and four longer (2.66 Å) Ba–O bond lengths. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with four equivalent CaO6 octahedra, and edges with eight equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.65 Å) and four longer (2.66 Å) Ca–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+ and two equivalent Ca2+ atoms to form a mixture of corner and edge-sharing OBa4Ca2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Ca2+ atoms to form OBa2Ca4 octahedra that share corners with six equivalent OBa2Ca4 octahedra and edges with twelve OBa4Ca2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350223
title: Materials Data on MnSn by Materials Project

description: MnSn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Sn atoms to form corner-sharing MnSn4 tetrahedra. All Mn–Sn bond lengths are 2.66 Å. Sn is bonded to four equivalent Mn atoms to form corner-sharing SnMn4 tetrahedra.
DOI: 10.17188/1350224
title: Materials Data on MnSn by Materials Project

description: MnSn is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded to six equivalent Sn atoms to form a mixture of edge and corner-sharing MnSn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–Sn bond lengths are 2.75 Å. Sn is bonded to six equivalent Mn atoms to form a mixture of edge and corner-sharing SnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1350225
title: Materials Data on VI2 by Materials Project

description: VI2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one VI2 sheet oriented in the (0, 0, 1) direction. V2+ is bonded to six equivalent I1- atoms to form edge-sharing VI6 octahedra. All V–I bond lengths are 2.85 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent V2+ atoms.