cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1262345
title: Materials Data on CaCo3(P2O7)2 by Materials Project

description: CaCo3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.48–2.72 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra and edges with two CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.20 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six PO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.08–2.17 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 corners with four CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–61°. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five CoO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–59°. There are a spread of P–O bond distances ranging from 1.53–1.61 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Co2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two Co2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Co2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1262346
title: Materials Data on TiIn2O5 by Materials Project

description: In2TiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with eight InO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 35–65°. There are a spread of Ti–O bond distances ranging from 1.82–2.30 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent InO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with six InO6 octahedra. The corner-sharing octahedra tilt angles range from 58–65°. There are a spread of In–O bond distances ranging from 2.22–2.27 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent TiO6 octahedra, corners with four InO6 octahedra, and edges with four InO6 octahedra. The corner-sharing octahedra tilt angles range from 52–64°. There are a spread of In–O bond distances ranging from 2.15–2.26 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to one Ti4+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OTiIn3 tetrahedra. In the third O2- site, O2- is bonded to one Ti4+ and three In3+ atoms to form distorted OTiIn3 tetrahedra that share corners with eight OTiIn3 tetrahedra and edges with two equivalent OIn4 tetrahedra. In the fourth O2- site, O2- is bonded to four In3+ atoms to form distorted OIn4 tetrahedra that share corners with ten OIn4 tetrahedra and edges with three OTiIn3 tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Ti4+ atoms.
DOI: 10.5281/zenodo.3755074
title: IODP Expedition 362 RGB channels (calculated from core photos)

description: Red, green, and blue pixel data were extracted from Section Half Imaging Logger (SHIL) linescan images, typically binned at 0.5 cm resolution using the central 2 cm of the image.
DOI: 10.17188/1262347
title: Materials Data on NaH6BrO5 by Materials Project

description: NaH6O5Br crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one NaH6O5Br sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six O2- atoms to form edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.38–2.54 Å. There are six inequivalent H+0.67+ sites. In the first H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H+0.67+ site, H+0.67+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the fourth H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H+0.67+ site, H+0.67+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one H+0.67+, and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.77 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H+0.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H+0.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H+0.67+ atoms. Br5+ is bonded in a water-like geometry to two O2- atoms.
DOI: 10.5281/zenodo.3755073
title: IODP Expedition 362 RGB channels (calculated from core photos)

description: Red, green, and blue pixel data were extracted from Section Half Imaging Logger (SHIL) linescan images, typically binned at 0.5 cm resolution using the central 2 cm of the image.
DOI: 10.17188/1262351
title: Materials Data on Cs4Pr6C2I13 by Materials Project

description: Cs4Pr6C2I13 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cs is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Cs–I bond distances ranging from 3.98–4.27 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to one C and five I atoms to form distorted PrCI5 octahedra that share a cornercorner with one PrCI5 octahedra, corners with two equivalent PrC2I5 pentagonal bipyramids, and edges with four equivalent PrC2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. The Pr–C bond length is 2.31 Å. There are a spread of Pr–I bond distances ranging from 3.18–3.42 Å. In the second Pr site, Pr is bonded to two equivalent C and five I atoms to form distorted PrC2I5 pentagonal bipyramids that share a cornercorner with one PrCI5 octahedra, edges with two equivalent PrCI5 octahedra, edges with two equivalent PrC2I5 pentagonal bipyramids, and faces with two equivalent PrC2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 7°. There are one shorter (2.63 Å) and one longer (2.64 Å) Pr–C bond lengths. There are a spread of Pr–I bond distances ranging from 3.20–3.46 Å. C is bonded in a 6-coordinate geometry to five Pr and one C atom. The C–C bond length is 1.39 Å. There are four inequivalent I sites. In the first I site, I is bonded to two equivalent Cs and three Pr atoms to form distorted ICs2Pr3 trigonal bipyramids that share corners with three equivalent ICs2Pr3 trigonal bipyramids, an edgeedge with one ICs2Pr3 trigonal bipyramid, and a faceface with one ICs4Pr2 octahedra. In the second I site, I is bonded to four equivalent Cs and two equivalent Pr atoms to form face-sharing ICs4Pr2 octahedra. In the third I site, I is bonded in a 5-coordinate geometry to two equivalent Pr atoms. In the fourth I site, I is bonded in a 6-coordinate geometry to four equivalent Cs and two Pr atoms.
DOI: 10.17188/1262352
title: Materials Data on K6Pb2O5 by Materials Project

description: K6Pb2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 square pyramids that share corners with two equivalent KO4 trigonal pyramids, an edgeedge with one KO5 square pyramid, and edges with two equivalent KO4 trigonal pyramids. There are a spread of K–O bond distances ranging from 2.70–3.09 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with two equivalent KO5 square pyramids, edges with two equivalent KO5 square pyramids, and an edgeedge with one KO4 trigonal pyramid. There are a spread of K–O bond distances ranging from 2.63–2.91 Å. In the third K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.77 Å. In the fourth K1+ site, K1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.85 Å. In the fifth K1+ site, K1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.70–2.83 Å. In the sixth K1+ site, K1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.61–2.72 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are two shorter (2.19 Å) and one longer (2.31 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.18 Å) and one longer (2.31 Å) Pb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four K1+ and two Pb2+ atoms to form a mixture of distorted edge and corner-sharing OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 12–14°. In the second O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form OK5Pb octahedra that share corners with three equivalent OK5Pb octahedra and edges with seven OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 8–13°. In the third O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form distorted OK5Pb octahedra that share corners with four OK4Pb2 octahedra and edges with seven OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 12–26°. In the fourth O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form OK5Pb octahedra that share a cornercorner with one OK5Pb octahedra and edges with eight OK4Pb2 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fifth O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form OK5Pb octahedra that share corners with four OK5Pb octahedra and edges with seven OK4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 8–26°.
DOI: 10.17188/1262357
title: Materials Data on CsCu4Se3 by Materials Project

description: CsCu4Se3 is alpha bismuth trifluoride-derived structured and 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 Se2- atoms. All Cs–Se bond lengths are 3.66 Å. Cu+1.25+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.56 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Cu+1.25+ atoms. In the second Se2- site, Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms.
DOI: 10.17188/1262359
title: Materials Data on TiCdO3 by Materials Project

description: CdTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 30–33°. There are a spread of Ti–O bond distances ranging from 1.88–2.17 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.27–2.90 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and three equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ti4+ and three equivalent Cd2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Cd2+ atoms.
DOI: 10.17188/1262362
title: Materials Data on Ta3SiTe6 by Materials Project

description: Ta3SiTe6 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ta3SiTe6 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to one Si4- and six Te+1.83- atoms to form distorted TaSiTe6 pentagonal bipyramids that share an edgeedge with one SiTa4Te4 hexagonal bipyramid, edges with four TaSiTe6 pentagonal bipyramids, and a faceface with one TaSiTe6 pentagonal bipyramid. The Ta–Si bond length is 2.84 Å. There are a spread of Ta–Te bond distances ranging from 2.80–2.88 Å. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to two equivalent Si4- and six Te+1.83- atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Ta–Si bond lengths. There are a spread of Ta–Te bond distances ranging from 2.83–2.95 Å. In the third Ta5+ site, Ta5+ is bonded to one Si4- and six Te+1.83- atoms to form distorted TaSiTe6 pentagonal bipyramids that share edges with two equivalent SiTa4Te4 hexagonal bipyramids, edges with two equivalent TaSiTe6 pentagonal bipyramids, and a faceface with one TaSiTe6 pentagonal bipyramid. The Ta–Si bond length is 2.73 Å. There are a spread of Ta–Te bond distances ranging from 2.76–2.96 Å. Si4- is bonded to four Ta5+ and four Te+1.83- atoms to form distorted SiTa4Te4 hexagonal bipyramids that share corners with two equivalent SiTa4Te4 hexagonal bipyramids and edges with three TaSiTe6 pentagonal bipyramids. There are two shorter (2.71 Å) and two longer (2.76 Å) Si–Te bond lengths. There are three inequivalent Te+1.83- sites. In the first Te+1.83- site, Te+1.83- is bonded in a 3-coordinate geometry to three Ta5+ atoms. In the second Te+1.83- site, Te+1.83- is bonded in a 4-coordinate geometry to three Ta5+ and one Si4- atom. In the third Te+1.83- site, Te+1.83- is bonded in a 4-coordinate geometry to three Ta5+ and one Si4- atom.
DOI: 10.17188/1262363
title: Materials Data on Sm2Co7B3 by Materials Project

description: Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Sm and six equivalent Co atoms. Both Sm–Sm bond lengths are 3.30 Å. All Sm–Co bond lengths are 2.93 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Co, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.03 Å. All Sm–Co bond lengths are 2.92 Å. All Sm–B bond lengths are 2.93 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to two Sm, twelve Co, and six equivalent B atoms. There are six shorter (2.86 Å) and six longer (2.98 Å) Sm–Co bond lengths. All Sm–B bond lengths are 2.93 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four Sm and four B atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Co atoms.
DOI: 10.17188/1262378
title: Materials Data on Cs3AuO by Materials Project

description: Cs3AuO crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to four equivalent Au1- and two equivalent O2- atoms. There are two shorter (4.05 Å) and two longer (4.36 Å) Cs–Au bond lengths. Both Cs–O bond lengths are 2.85 Å. Au1- is bonded to twelve equivalent Cs1+ atoms to form AuCs12 cuboctahedra that share corners with six equivalent AuCs12 cuboctahedra, corners with six equivalent OCs6 octahedra, faces with eight equivalent AuCs12 cuboctahedra, and faces with six equivalent OCs6 octahedra. The corner-sharing octahedral tilt angles are 17°. O2- is bonded to six equivalent Cs1+ atoms to form OCs6 octahedra that share corners with six equivalent AuCs12 cuboctahedra, faces with six equivalent AuCs12 cuboctahedra, and faces with two equivalent OCs6 octahedra.
DOI: 10.5281/zenodo.3755081
title: IODP Expedition 362 Vane shear strength (Torvane)

description: Sediment strength was measured on section halves using a Humbolt Manufacturing Torvane handheld instrument. The Torvane is suitable for sediment not affected by cementation (i.e., saturated, clay-rich, soft sediment).
DOI: 10.17188/1262379
title: Materials Data on Ba6Na16N by Materials Project

description: Na16Ba6N crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 10-coordinate geometry to eight Na and two equivalent Ba atoms. There are a spread of Na–Na bond distances ranging from 3.54–3.78 Å. Both Na–Ba bond lengths are 4.30 Å. In the second Na site, Na is bonded to six equivalent Na and six equivalent Ba atoms to form NaBa6Na6 cuboctahedra that share corners with six equivalent NaBa6Na6 cuboctahedra, faces with six equivalent NaBa6Na6 cuboctahedra, and faces with two equivalent NBa6 octahedra. All Na–Ba bond lengths are 4.39 Å. Ba is bonded in a single-bond geometry to eight Na and one N atom. The Ba–N bond length is 2.84 Å. N is bonded to six equivalent Ba atoms to form NBa6 octahedra that share faces with eight equivalent NaBa6Na6 cuboctahedra.
DOI: 10.5281/zenodo.3755080
title: IODP Expedition 362 Vane shear strength (Torvane)

description: Sediment strength was measured on section halves using a Humbolt Manufacturing Torvane handheld instrument. The Torvane is suitable for sediment not affected by cementation (i.e., saturated, clay-rich, soft sediment).
DOI: 10.17188/1262380
title: Materials Data on Ba(Cu3As)2 by Materials Project

description: BaCu6As2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent As atoms. All Ba–Cu bond lengths are 3.61 Å. All Ba–As bond lengths are 3.43 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted bent 120 degrees geometry to two equivalent Ba, four Cu, and two equivalent As atoms. All Cu–Cu bond lengths are 2.54 Å. Both Cu–As bond lengths are 2.44 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to eight equivalent Cu and two equivalent As atoms. Both Cu–As bond lengths are 2.65 Å. In the third Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. As is bonded in a 9-coordinate geometry to four equivalent Ba and five Cu atoms.
DOI: 10.17188/1262381
title: Materials Data on Gd2Ru2O7 by Materials Project

description: Gd2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.51 Å) Gd–O bond lengths. Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ru–O bond lengths are 2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent Ru4+ atoms to form a mixture of distorted corner and edge-sharing OGd2Ru2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Gd3+ atoms to form a mixture of corner and edge-sharing OGd4 tetrahedra.
DOI: 10.17188/1262382
title: Materials Data on CdInBr3 by Materials Project

description: InCdBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two InCdBr3 ribbons oriented in the (1, 0, 0) direction. Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.72–2.88 Å. In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.39 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cd2+ and two equivalent In1+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.