cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1188612
title: Materials Data on Y5Pt4 by Materials Project

description: Y5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to six Pt atoms to form distorted corner-sharing YPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Y–Pt bond distances ranging from 2.83–3.20 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Y–Pt bond distances ranging from 2.85–3.01 Å. In the third Y site, Y is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Y–Pt bond distances ranging from 2.97–3.34 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Y and one Pt atom. The Pt–Pt bond length is 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to eight Y and one Pt atom. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight Y atoms.
DOI: 10.25403/upresearchdata.13650323
title: The role of identity in the career success of black female leaders in South Africa

description: Consolidated transcripts, consent forms and interviews that underpins the research study.
DOI: 10.25403/upresearchdata.13650323.v1
title: The role of identity in the career success of black female leaders in South Africa

description: Consolidated transcripts, consent forms and interviews that underpins the research study.
DOI: 10.5281/zenodo.3752084
title: IODP Expedition 362 Core drilling summary

description: Report includes detailed drilling data for each core: pump(s) used, mud pumped, strokes, shear pins/pressure, bit size/rotation, weight on bit, top drive torque, rate of penetration, core jams, winch and wirelines, core catcher/shoe and barrel, and whether core orientation, drillover, formation temperature, tracers, liners were used.
DOI: 10.17188/1188613
title: Materials Data on Te2O5 by Materials Project

description: Te2O5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Te5+ sites. In the first Te5+ site, Te5+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.11 Å. In the second Te5+ site, Te5+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are a spread of Te–O bond distances ranging from 1.89–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Te5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Te5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Te5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te5+ atoms.
DOI: 10.5281/zenodo.3752083
title: IODP Expedition 362 Core drilling summary

description: Report includes detailed drilling data for each core: pump(s) used, mud pumped, strokes, shear pins/pressure, bit size/rotation, weight on bit, top drive torque, rate of penetration, core jams, winch and wirelines, core catcher/shoe and barrel, and whether core orientation, drillover, formation temperature, tracers, liners were used.
DOI: 10.17188/1188639
title: Materials Data on KCr5S8 by Materials Project

description: KCr5S8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.71 Å. There are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Cr–S bond distances ranging from 2.36–2.53 Å. In the second Cr3+ site, Cr3+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing CrS6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Cr–S bond distances ranging from 2.35–2.54 Å. In the third Cr3+ site, Cr3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four shorter (2.38 Å) and two longer (2.42 Å) Cr–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to five Cr3+ atoms to form distorted edge-sharing SCr5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent K1+ and three equivalent Cr3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Cr3+ atoms. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one K1+ and four Cr3+ atoms.
DOI: 10.6073/pasta/15e65d2d88d85aff98d5d69c716f36de
title: Stream and lake water chemistry data for Green Lakes Valley, 1998 - ongoing.

description: This is a summary of major ion concentrations for lake water at selected depths as well as for the inlets and outlets of Green Lakes 1, 4, and Lake Albion. On some occasions the same samples were also taken from other lakes in the Green Lakes Valley, such as Green Lakes 2, 3 and 5.
DOI: 10.17188/1188640
title: Materials Data on NaS2 by Materials Project

description: NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.
DOI: 10.17188/1188641
title: Materials Data on BaSnS2 by Materials Project

description: BaSnS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing BaS6 octahedra. The corner-sharing octahedra tilt angles range from 13–32°. There are a spread of Ba–S bond distances ranging from 3.19–3.24 Å. Sn2+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sn–S bond distances ranging from 2.59–2.64 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ba2+ and two equivalent Sn2+ atoms to form SBa2Sn2 tetrahedra that share corners with four equivalent SBa2Sn2 tetrahedra, corners with six equivalent SBa4Sn trigonal bipyramids, and edges with two equivalent SBa4Sn trigonal bipyramids. In the second S2- site, S2- is bonded to four equivalent Ba2+ and one Sn2+ atom to form SBa4Sn trigonal bipyramids that share corners with six equivalent SBa2Sn2 tetrahedra, corners with four equivalent SBa4Sn trigonal bipyramids, edges with two equivalent SBa2Sn2 tetrahedra, and edges with four equivalent SBa4Sn trigonal bipyramids.
DOI: 10.17188/1188642
title: Materials Data on KB5O8 by Materials Project

description: KB5O8 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.14 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.39 Å. In the third B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of B–O bond distances ranging from 1.47–1.49 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two B3+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms.
DOI: 10.17188/1188643
title: Materials Data on LiCu(PO3)3 by Materials Project

description: LiCu(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six PO4 tetrahedra and edges with three equivalent CuO6 octahedra. There are a spread of Li–O bond distances ranging from 2.09–2.28 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with six PO4 tetrahedra and edges with three equivalent LiO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.97–2.52 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent CuO6 octahedra, and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent CuO6 octahedra, and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.51 Å) and two longer (1.60 Å) P–O bond length. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra, corners with two equivalent CuO6 octahedra, and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–66°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Cu2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Cu2+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms.
DOI: 10.17188/1188644
title: Materials Data on Na2Mg2(Si2O5)3 by Materials Project

description: Na2Mg2(Si2O5)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.88 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.79 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 2.05–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted MgO4 trigonal pyramids that share corners with four SiO4 tetrahedra and edges with two equivalent MgO6 octahedra. There is two shorter (1.97 Å) and two longer (1.98 Å) Mg–O bond length. There are three 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 MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra, corners with three SiO4 tetrahedra, and a cornercorner with one MgO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 37°. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra, corners with three SiO4 tetrahedra, and a cornercorner with one MgO4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Mg2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+ and two equivalent Si4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two equivalent Si4+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent Si4+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Mg2+, and one Si4+ atom.
DOI: 10.17188/1188645
title: Materials Data on BaGa2 by Materials Project

description: BaGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ga atoms to form a mixture of edge and face-sharing BaGa12 cuboctahedra. All Ba–Ga bond lengths are 3.64 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.59 Å.
DOI: 10.17188/1188648
title: Materials Data on Hg3(PO4)2 by Materials Project

description: Hg3(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to five O2- atoms to form distorted HgO5 square pyramids that share corners with five PO4 tetrahedra and edges with two equivalent HgO5 square pyramids. There are a spread of Hg–O bond distances ranging from 2.16–2.61 Å. In the second Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.62 Å. In the third Hg2+ site, Hg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.13–2.99 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 two equivalent HgO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent HgO5 square pyramids. There are a spread of P–O bond distances ranging from 1.54–1.58 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Hg2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Hg2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one P5+ atom.
DOI: 10.5281/zenodo.3752053
title: IODP Expedition 362 Core composite images

description: A digital composite image (PNG) is made for each core comprising core sections scanned using a line-scan camera. The composite layout is equivalent to traditional core table photos. Top left is top of core; color and meter rule references are included.
DOI: 10.17188/1188649
title: Materials Data on Ba by Materials Project

description: Ba is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. All Ba–Ba bond lengths are 4.36 Å.
DOI: 10.5281/zenodo.3752052
title: IODP Expedition 362 Core composite images

description: A digital composite image (PNG) is made for each core comprising core sections scanned using a line-scan camera. The composite layout is equivalent to traditional core table photos. Top left is top of core; color and meter rule references are included.
DOI: 10.17188/1188650
title: Materials Data on Be5Au by Materials Project

description: AuBe5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to nine Be and three equivalent Au atoms to form distorted BeBe9Au3 cuboctahedra that share corners with eighteen equivalent BeBe9Au3 cuboctahedra, corners with three equivalent BeBe12Au4 tetrahedra, edges with six equivalent BeBe9Au3 cuboctahedra, faces with eighteen equivalent BeBe9Au3 cuboctahedra, and faces with seven equivalent BeBe12Au4 tetrahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.54 Å. All Be–Au bond lengths are 2.54 Å. In the second Be site, Be is bonded to twelve equivalent Be and four equivalent Au atoms to form distorted BeBe12Au4 tetrahedra that share corners with twelve equivalent BeBe9Au3 cuboctahedra, faces with twenty-eight equivalent BeBe9Au3 cuboctahedra, and faces with twelve equivalent BeBe12Au4 tetrahedra. All Be–Au bond lengths are 2.65 Å. Au is bonded in a 12-coordinate geometry to sixteen Be atoms.
DOI: 10.17188/1188651
title: Materials Data on Ti4O7 by Materials Project

description: Ti4O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of Ti–O bond distances ranging from 1.88–2.18 Å. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of distorted face, edge, and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Ti–O bond distances ranging from 1.87–2.18 Å. In the third Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are a spread of Ti–O bond distances ranging from 1.94–2.08 Å. In the fourth Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–60°. There are a spread of Ti–O bond distances ranging from 1.95–2.12 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.50+ atoms. In the fourth O2- site, O2- is bonded to four Ti+3.50+ atoms to form distorted edge-sharing OTi4 trigonal pyramids. In the fifth O2- site, O2- is bonded to four Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ti+3.50+ atoms. In the seventh O2- site, O2- is bonded to four Ti+3.50+ atoms to form a mixture of distorted edge and corner-sharing OTi4 trigonal pyramids.
DOI: 10.17188/1188652
title: Materials Data on V3Ge by Materials Project

description: V3Ge crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Ge atoms. Both V–V bond lengths are 2.38 Å. All V–Ge bond lengths are 2.66 Å. Ge is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing GeV12 cuboctahedra.