cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262888
title: Materials Data on NaCu5C6 by Materials Project

description: NaCu5C6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a distorted q4 geometry to ten C1- atoms. There are a spread of Na–C bond distances ranging from 2.66–2.85 Å. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to four C1- atoms. There are two shorter (1.95 Å) and two longer (2.12 Å) Cu–C bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to five C1- atoms. There are a spread of Cu–C bond distances ranging from 2.08–2.23 Å. In the third Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to four C1- atoms. There are a spread of Cu–C bond distances ranging from 1.94–2.22 Å. There are three inequivalent C1- sites. In the first C1- site, C1- is bonded in a 7-coordinate geometry to two equivalent Na1+, four Cu1+, and one C1- atom. The C–C bond length is 1.30 Å. In the second C1- site, C1- is bonded in a distorted pentagonal planar geometry to one Na1+, three Cu1+, and one C1- atom. The C–C bond length is 1.29 Å. In the third C1- site, C1- is bonded in a 7-coordinate geometry to two equivalent Na1+, four Cu1+, and one C1- atom.
DOI: 10.17188/1262889
title: Materials Data on Cs2LiVS4 by Materials Project

description: Cs2LiVS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Cs–S bond distances ranging from 3.60–3.94 Å. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share edges with two equivalent VS4 tetrahedra. All Li–S bond lengths are 2.44 Å. V5+ is bonded to four equivalent S2- atoms to form VS4 tetrahedra that share edges with two equivalent LiS4 tetrahedra. All V–S bond lengths are 2.16 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Li1+, and one V5+ atom.
DOI: 10.17188/1262890
title: Materials Data on Cs3Ge4Au by Materials Project

description: Cs3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 5-coordinate geometry to one Au and four Ge atoms. The Cs–Au bond length is 3.65 Å. There are a spread of Cs–Ge bond distances ranging from 3.76–3.90 Å. In the second Cs site, Cs is bonded to two equivalent Au and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CsGe4Au2 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Cs–Au bond lengths are 3.76 Å. There are two shorter (3.84 Å) and two longer (3.91 Å) Cs–Ge bond lengths. Au is bonded in a 8-coordinate geometry to four Cs and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four Cs and one Au atom. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Cs and one Au atom.
DOI: 10.17188/1262891
title: Materials Data on Dy2Te4O11 by Materials Project

description: Dy2Te4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.27–2.58 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.33 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one Te4+ atom.
DOI: 10.17188/1262892
title: Materials Data on In5Se5Br by Materials Project

description: In5Se5Br crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are five inequivalent In+2.20+ sites. In the first In+2.20+ site, In+2.20+ is bonded to six Se2- atoms to form edge-sharing InSe6 octahedra. There are a spread of In–Se bond distances ranging from 2.77–2.84 Å. In the second In+2.20+ site, In+2.20+ is bonded to four Se2- and two equivalent Br1- atoms to form edge-sharing InSe4Br2 octahedra. There are three shorter (2.72 Å) and one longer (2.73 Å) In–Se bond lengths. Both In–Br bond lengths are 2.99 Å. In the third In+2.20+ site, In+2.20+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are one shorter (2.69 Å) and two longer (2.72 Å) In–Se bond lengths. In the fourth In+2.20+ site, In+2.20+ is bonded in a distorted T-shaped geometry to three Se2- atoms. All In–Se bond lengths are 2.72 Å. In the fifth In+2.20+ site, In+2.20+ is bonded in a 2-coordinate geometry to six Se2- and one Br1- atom. There are a spread of In–Se bond distances ranging from 3.23–3.48 Å. The In–Br bond length is 3.46 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four In+2.20+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to five In+2.20+ atoms. In the third Se2- site, Se2- is bonded in a distorted T-shaped geometry to three In+2.20+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five In+2.20+ atoms. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to five In+2.20+ atoms. Br1- is bonded in a distorted L-shaped geometry to three In+2.20+ atoms.
DOI: 10.17188/1262893
title: Materials Data on In5S5Br by Materials Project

description: In5S5Br crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are five inequivalent In+2.20+ sites. In the first In+2.20+ site, In+2.20+ is bonded to six S2- atoms to form edge-sharing InS6 octahedra. There are a spread of In–S bond distances ranging from 2.64–2.71 Å. In the second In+2.20+ site, In+2.20+ is bonded to four S2- and two equivalent Br1- atoms to form edge-sharing InS4Br2 octahedra. There are a spread of In–S bond distances ranging from 2.58–2.64 Å. Both In–Br bond lengths are 2.93 Å. In the third In+2.20+ site, In+2.20+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.57 Å) and two longer (2.59 Å) In–S bond lengths. In the fourth In+2.20+ site, In+2.20+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.58 Å) and one longer (2.60 Å) In–S bond lengths. In the fifth In+2.20+ site, In+2.20+ is bonded in a 5-coordinate geometry to four S2- and one Br1- atom. There are two shorter (3.18 Å) and two longer (3.32 Å) In–S bond lengths. The In–Br bond length is 3.34 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to four In+2.20+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+2.20+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three In+2.20+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five In+2.20+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to five In+2.20+ atoms. Br1- is bonded in a 3-coordinate geometry to three In+2.20+ atoms.
DOI: 10.17188/1262894
title: Materials Data on Ag13OsO6 by Materials Project

description: Ag13OsO6 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Os1- is bonded in an octahedral geometry to six equivalent O2- atoms. All Os–O bond lengths are 1.92 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a cuboctahedral geometry to twelve equivalent Ag1+ atoms. All Ag–Ag bond lengths are 2.84 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to one Ag1+ and two equivalent O2- atoms. Both Ag–O bond lengths are 2.51 Å. O2- is bonded in a 1-coordinate geometry to one Os1- and four equivalent Ag1+ atoms.
DOI: 10.17188/1262895
title: Materials Data on SbN9 by Materials Project

description: SbN9 is diamond structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six SbN9 clusters. Sb3+ is bonded in a 3-coordinate geometry to three equivalent N+0.33- atoms. All Sb–N bond lengths are 2.17 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.15 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.23 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one N+0.33- atom.
DOI: 10.17188/1262896
title: Materials Data on La4B4Br5 by Materials Project

description: La4B4Br5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent La+2.75+ sites. In the first La+2.75+ site, La+2.75+ is bonded in a 9-coordinate geometry to four B+1.50- and five Br1- atoms. There are a spread of La–B bond distances ranging from 2.64–2.84 Å. There are a spread of La–Br bond distances ranging from 3.08–3.36 Å. In the second La+2.75+ site, La+2.75+ is bonded in a 8-coordinate geometry to four B+1.50- and four Br1- atoms. There are two shorter (2.67 Å) and two longer (2.68 Å) La–B bond lengths. There are a spread of La–Br bond distances ranging from 3.08–3.29 Å. In the third La+2.75+ site, La+2.75+ is bonded in a 9-coordinate geometry to four B+1.50- and five Br1- atoms. There are a spread of La–B bond distances ranging from 2.64–2.83 Å. There are a spread of La–Br bond distances ranging from 3.10–3.27 Å. In the fourth La+2.75+ site, La+2.75+ is bonded in a 8-coordinate geometry to four B+1.50- and four Br1- atoms. All La–B bond lengths are 2.68 Å. There are a spread of La–Br bond distances ranging from 3.23–3.38 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to four La+2.75+ and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.60–1.68 Å. In the second B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to four La+2.75+ and three B+1.50- atoms. The B–B bond length is 1.96 Å. In the third B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to four La+2.75+ and three B+1.50- atoms. There are six inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three La+2.75+ atoms. In the second Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La+2.75+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three La+2.75+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to four La+2.75+ atoms. In the fifth Br1- site, Br1- is bonded in a square co-planar geometry to four equivalent La+2.75+ atoms. In the sixth Br1- site, Br1- is bonded in a distorted square co-planar geometry to four equivalent La+2.75+ atoms.
DOI: 10.17188/1262897
title: Materials Data on CeSn2Rh by Materials Project

description: CeRhSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to six equivalent Rh and nine Sn atoms. There are four shorter (3.44 Å) and two longer (3.57 Å) Ce–Rh bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.22–3.54 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Rh and ten Sn atoms. All Ce–Rh bond lengths are 3.42 Å. There are a spread of Ce–Sn bond distances ranging from 3.53–3.68 Å. Rh is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.64–2.79 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Ce and three equivalent Rh atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Ce, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.83 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Rh, and one Sn atom.
DOI: 10.17188/1262900
title: Materials Data on Ce5Pb3O by Materials Project

description: Ce5Pb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted single-bond geometry to five Pb and one O atom. There are a spread of Ce–Pb bond distances ranging from 3.28–3.54 Å. The Ce–O bond length is 2.35 Å. In the second Ce site, Ce is bonded to six Pb atoms to form corner-sharing CePb6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are four shorter (3.30 Å) and two longer (3.59 Å) Ce–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 8-coordinate geometry to eight Ce atoms. In the second Pb site, Pb is bonded in a distorted q6 geometry to ten Ce atoms. O is bonded in a tetrahedral geometry to four equivalent Ce atoms.
DOI: 10.5281/zenodo.3752105
title: IODP Expedition 362 Section-half images

description: Digital section images were taken of the flat face of split cores on the Section Half Imaging Logger (SHIL) using a linescan camera at a resolution of 20 lines/mm (50 micron pixels). Cores were imaged as soon as possible after splitting to minimize color changes that occur through oxidation and drying. The SHIL produces TIF files as well as reduced-size JPG files. The TIF files are not kept online but users may request them from the IODP-JRSO Data Librarian.
DOI: 10.17188/1262901
title: Materials Data on CsAlCuF6 by Materials Project

description: CsCuAlF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cs–F bond distances ranging from 3.11–3.15 Å. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are a spread of Cu–F bond distances ranging from 1.96–2.12 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 29–45°. There are a spread of Al–F bond distances ranging from 1.81–1.86 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+, one Cu2+, and one Al3+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+, one Cu2+, and one Al3+ atom.
DOI: 10.5281/zenodo.3752104
title: IODP Expedition 362 Section-half images

description: Digital section images were taken of the flat face of split cores on the Section Half Imaging Logger (SHIL) using a linescan camera at a resolution of 20 lines/mm (50 micron pixels). Cores were imaged as soon as possible after splitting to minimize color changes that occur through oxidation and drying. The SHIL produces TIF files as well as reduced-size JPG files. The TIF files are not kept online but users may request them from the IODP-JRSO Data Librarian.
DOI: 10.17188/1262902
title: Materials Data on GdAs by Materials Project

description: GdAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing GdAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–As bond lengths are 2.95 Å. As3- is bonded to six equivalent Gd3+ atoms to form a mixture of edge and corner-sharing AsGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262903
title: Materials Data on CeBRh3 by Materials Project

description: CeRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ce–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent CeRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262904
title: Materials Data on EuBRh3 by Materials Project

description: EuRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu is bonded to twelve equivalent Rh atoms to form EuRh12 cuboctahedra that share corners with twelve equivalent EuRh12 cuboctahedra, faces with six equivalent EuRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Eu–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Eu and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhEu4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.13 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent EuRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262905
title: Materials Data on CsMnSb by Materials Project

description: CsMnSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CsMnSb sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Cs–Sb bond lengths are 3.81 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.83 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1262906
title: Materials Data on Mn3CuN by Materials Project

description: Mn3CuN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Mn–Cu bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.91 Å. Cu is bonded to twelve equivalent Mn atoms to form CuMn12 cuboctahedra that share corners with twelve equivalent CuMn12 cuboctahedra, faces with six equivalent CuMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent CuMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262907
title: Materials Data on Fe3NiN by Materials Project

description: Fe3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Fe3Ni framework. In the Fe3Ni framework, Fe is bonded in a linear geometry to two equivalent Ni atoms. Both Fe–Ni bond lengths are 2.15 Å. Ni is bonded to six equivalent Fe atoms to form corner-sharing NiFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262908
title: Materials Data on Fe3PtN by Materials Project

description: Fe3PtN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Fe3Pt framework. In the Fe3Pt framework, Fe is bonded in a linear geometry to two equivalent Pt atoms. Both Fe–Pt bond lengths are 2.35 Å. Pt is bonded to six equivalent Fe atoms to form corner-sharing PtFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262910
title: Materials Data on GdIr3 by Materials Project

description: GdIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Gd is bonded to twelve equivalent Ir atoms to form a mixture of corner and face-sharing GdIr12 cuboctahedra. All Gd–Ir bond lengths are 2.88 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Gd atoms.
DOI: 10.17188/1262911
title: Materials Data on GdP by Materials Project

description: GdP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing GdP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–P bond lengths are 2.86 Å. P3- is bonded to six equivalent Gd3+ atoms to form a mixture of edge and corner-sharing PGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262912
title: Materials Data on GdS by Materials Project

description: GdS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent S atoms to form a mixture of corner and edge-sharing GdS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–S bond lengths are 2.79 Å. S is bonded to six equivalent Gd atoms to form a mixture of corner and edge-sharing SGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262914
title: Materials Data on GdSe by Materials Project

description: GdSe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Se atoms to form a mixture of corner and edge-sharing GdSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.93 Å. Se is bonded to six equivalent Gd atoms to form a mixture of corner and edge-sharing SeGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1262915
title: Materials Data on MnO2 by Materials Project

description: MnO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mn4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is four shorter (1.91 Å) and two longer (1.93 Å) Mn–O bond length. O2- is bonded in a distorted trigonal planar geometry to three equivalent Mn4+ atoms.