cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1193580
title: Materials Data on K3CrO8 by Materials Project

description: K3CrO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to twelve O atoms. There are a spread of K–O bond distances ranging from 2.71–3.21 Å. In the second K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with four equivalent CrO8 hexagonal bipyramids, corners with four equivalent OK3CrO trigonal bipyramids, and edges with two equivalent CrO8 hexagonal bipyramids. There are four shorter (2.83 Å) and four longer (2.84 Å) K–O bond lengths. Cr is bonded to eight O atoms to form distorted CrO8 hexagonal bipyramids that share corners with four equivalent KO8 hexagonal bipyramids, corners with four equivalent OK3CrO trigonal bipyramids, and edges with two equivalent KO8 hexagonal bipyramids. There is four shorter (1.91 Å) and four longer (1.99 Å) Cr–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to five K, one Cr, and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded to three K, one Cr, and one O atom to form distorted OK3CrO trigonal bipyramids that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one CrO8 hexagonal bipyramid, corners with ten equivalent OK3CrO trigonal bipyramids, and an edgeedge with one OK3CrO trigonal bipyramid.
DOI: 10.17188/1193581
title: Materials Data on LiFeAs2O7 by Materials Project

description: LiFeAs2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.13 Å) Li–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent AsO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.96–2.08 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–55°. There are a spread of As–O bond distances ranging from 1.69–1.78 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Fe3+, and one As5+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Fe3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one As5+ atom.
DOI: 10.17188/1193582
title: Materials Data on V2ZnO4 by Materials Project

description: ZnV2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six VO6 octahedra. There are four shorter (2.04 Å) and two longer (2.10 Å) V–O bond lengths. In the second V3+ site, V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six VO6 octahedra. There are a spread of V–O bond distances ranging from 2.03–2.07 Å. In the third V3+ site, V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six VO6 octahedra. There are two shorter (2.03 Å) and four longer (2.07 Å) V–O bond lengths. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with twelve VO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There are one shorter (2.00 Å) and three longer (2.01 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three V3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OV3Zn trigonal pyramids. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three V3+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three V3+ and one Zn2+ atom.
DOI: 10.17188/1193583
title: Materials Data on RbGe by Materials Project

description: RbGe crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six Ge atoms. There are three shorter (3.67 Å) and three longer (3.81 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.52–3.79 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Rb and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Rb and three equivalent Ge atoms. There are two shorter (2.60 Å) and one longer (2.63 Å) Ge–Ge bond lengths.
DOI: 10.17188/1193584
title: Materials Data on ErVO4 by Materials Project

description: ErVO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.38 Å) Er–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.76 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one V5+ atom.
DOI: 10.17188/1193585
title: Materials Data on KCr4O8 by Materials Project

description: KCr4O8 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.95 Å. Cr+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Cr–O bond distances ranging from 1.90–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Cr+3.75+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three equivalent Cr+3.75+ atoms.
DOI: 10.17188/1193586
title: Materials Data on VSiP2O9 by Materials Project

description: VSiP2O9 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. V4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.53 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. All Si–O bond lengths are 1.63 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.59 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Si4+ and one P5+ atom.
DOI: 10.5281/zenodo.4476505
title: Graphene simulated dataset

description: Graphene simulated dataset
DOI: 10.5281/zenodo.4475689
title: bachelor-thesis: Rapid Review - SLR Tools and their Characteristics

description: This item contains releveant artefacts for the conducted Rapid Review. Therefore it includes the set of included papers and the tools to support SLR presented in a tabular form with tool characteristics.
DOI: 10.5281/zenodo.4475688
title: bachelor-thesis: Rapid Review - SLR Tools and their Characteristics

description: This item contains releveant artefacts for the conducted Rapid Review. Therefore it includes the set of included papers and the tools to support SLR presented in a tabular form with tool characteristics.
DOI: 10.5281/zenodo.4475431
title: Mateo-Ramírez et al Species_Chapter 25_Alboran Sea-Ecosystems and Marine Resources

description: Lists of species include in conservation agreements or relevant by their singularity present in MPA and KBA of Alboran Sea and adjacent areas. This dataset is part of the Chapter 25 Marine Protected Areas and Key Biodiversity Areas of the Alboran Sea and Adjacent Areas. In J. C. Baéz et al. (eds.), Alboran Sea - Ecosystems and Marine Resources, https://doi.org/10.1007/978-3-030-65516-7_25
DOI: 10.5281/zenodo.4475430
title: Mateo-Ramírez et al Species_Chapter 25_Alboran Sea-Ecosystems and Marine Resources

description: Lists of species include in conservation agreements or relevant by their singularity present in MPA and KBA of Alboran Sea and adjacent areas. This dataset is part of the Chapter 25 Marine Protected Areas and Key Biodiversity Areas of the Alboran Sea and Adjacent Areas. In J. C. Baéz et al. (eds.), Alboran Sea - Ecosystems and Marine Resources, https://doi.org/10.1007/978-3-030-65516-7_25
DOI: 10.6073/pasta/21eac41a9530a7abb0de2b4387870f73
title: PIE LTER plant species presence along vegetation transects at the Argilla Rd. salt marsh restoration site (Ipswich) and Rough Meadows reference marsh (Rowley – Stackyard Road area), Massachusetts.

description: Plant species presence along vegetation transects at the Argilla Rd. salt marsh restoration site (Ipswich) and Rough Meadows reference marsh (Rowley – Stackyard Road area). A long term study not directly part of the PIE LTER, but a companion study related to tidal restrictions and hydrological alterations of salt marshes in the Plum Island ecosystem..
DOI: 10.5519/qd.jitzlopc
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (6824 records)
DOI: 10.5281/zenodo.4472525
title: Characterization of the microbiome and immune response in corals with chronic Montipora white syndrome.

description: Complete code and data files for the Motipora White Syndrome paper. Run in Qiime2 2020.11, mostly on the command line.
DOI: 10.5281/zenodo.4472524
title: Characterization of the microbiome and immune response in corals with chronic Montipora white syndrome.

description: Complete code and data files for the Motipora White Syndrome paper. Run in Qiime2 2020.11, mostly on the command line.
DOI: 10.5281/zenodo.4477041
title: diatomsRcool/zebrafish_phenotype_survey: v1.0.0 Zebrafish Phenotype Survey

description: No description provided.
DOI: 10.5281/zenodo.4477040
title: diatomsRcool/zebrafish_phenotype_survey: v1.0.0 Zebrafish Phenotype Survey

description: No description provided.
DOI: 10.7302/ab00-pv95
title: Computed tomography voxel dataset for ummz:mammals:154693-Blarina brevicauda brevicauda-WholeBody
DOI: 10.15468/4dh73h
title: The cicadas (Hemiptera: Cicadidae) of Trinidad and Tobago including the description of three new species and seven new records, with new records for several additional Caribbean Islands

description: This dataset contains the digitized treatments in Plazi based on the original journal article Sanborn, Allen F. (2020): The cicadas (Hemiptera: Cicadidae) of Trinidad and Tobago including the description of three new species and seven new records, with new records for several additional Caribbean Islands. Zootaxa 4838 (4): 535-565, DOI: https://doi.org/10.11646/zootaxa.4838.4.7
DOI: 10.6084/m9.figshare.13660901.v1
title: innovation_corruption.xlsx

description: variables as well as calculations are provided here
DOI: 10.6084/m9.figshare.13660901
title: innovation_corruption.xlsx

description: variables as well as calculations are provided here
DOI: 10.17188/1193587
title: Materials Data on YVO3 by Materials Project

description: YVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.72 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 36–39°. There are a spread of V–O bond distances ranging from 2.01–2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent V3+ atoms to form distorted corner-sharing OY2V2 trigonal pyramids.
DOI: 10.17188/1193588
title: Materials Data on Na4CrO4 by Materials Project

description: Na4CrO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, a cornercorner with one CrO4 tetrahedra, corners with two equivalent NaO4 tetrahedra, edges with five NaO5 square pyramids, and edges with two equivalent CrO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.39–2.51 Å. In the second Na1+ site, Na1+ is bonded to five O2- atoms to form NaO5 square pyramids that share corners with three equivalent NaO5 square pyramids, corners with two equivalent NaO4 tetrahedra, corners with three equivalent CrO4 tetrahedra, edges with five NaO5 square pyramids, and an edgeedge with one CrO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.40–2.49 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.38 Å. In the fourth Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent CrO4 tetrahedra, and edges with two equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.36 Å. Cr4+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with four NaO5 square pyramids, corners with four equivalent NaO4 tetrahedra, and edges with three NaO5 square pyramids. There are a spread of Cr–O bond distances ranging from 1.79–1.83 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Cr4+ atom. In the second O2- site, O2- is bonded to five Na1+ and one Cr4+ atom to form a mixture of distorted corner and edge-sharing ONa5Cr octahedra. The corner-sharing octahedra tilt angles range from 12–26°. In the third O2- site, O2- is bonded to five Na1+ and one Cr4+ atom to form a mixture of distorted corner and edge-sharing ONa5Cr octahedra. The corner-sharing octahedra tilt angles range from 12–15°. In the fourth O2- site, O2- is bonded to five Na1+ and one Cr4+ atom to form a mixture of distorted corner and edge-sharing ONa5Cr octahedra. The corner-sharing octahedra tilt angles range from 12–26°.
DOI: 10.17188/1193589
title: Materials Data on LaCrS2O by Materials Project

description: LaCrOS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to six S2- and three equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.08–3.26 Å. There are two shorter (2.33 Å) and one longer (2.48 Å) La–O bond lengths. Cr3+ is bonded to five S2- and one O2- atom to form distorted edge-sharing CrS5O octahedra. There are a spread of Cr–S bond distances ranging from 2.42–2.54 Å. The Cr–O bond length is 2.00 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Cr3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent La3+ and three equivalent Cr3+ atoms. O2- is bonded to three equivalent La3+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing OLa3Cr tetrahedra.
DOI: 10.17188/1193590
title: Materials Data on Sr2CdWO6 by Materials Project

description: Sr2CdWO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.92 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 1–12°. There are a spread of W–O bond distances ranging from 1.92–1.97 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 1–12°. There are a spread of Cd–O bond distances ranging from 2.24–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4CdW octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one W6+, and one Cd2+ atom.
DOI: 10.17188/1193591
title: Materials Data on VAg3O4 by Materials Project

description: Ag3VO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.60 Å. In the second Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.50 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one V5+ and three Ag1+ atoms to form distorted corner-sharing OVAg3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three Ag1+ atoms.
DOI: 10.17188/1193592
title: Materials Data on CaFe(SiO3)2 by Materials Project

description: CaFeSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.83 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.12–2.19 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent FeO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 33–58°. There are a spread of Si–O bond distances ranging from 1.61–1.70 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Fe2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Ca2+, one Fe2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1193593
title: Materials Data on BaV6O11 by Materials Project

description: BaV6O11 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with six equivalent BaO12 cuboctahedra, edges with six equivalent VO6 octahedra, edges with three equivalent VO5 trigonal bipyramids, and faces with six VO6 octahedra. There are six shorter (2.86 Å) and six longer (2.97 Å) Ba–O bond lengths. There are four inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with twelve VO6 octahedra and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of V–O bond distances ranging from 1.90–2.26 Å. In the second V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra, corners with three equivalent VO5 trigonal bipyramids, faces with three equivalent BaO12 cuboctahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three shorter (2.02 Å) and three longer (2.08 Å) V–O bond lengths. In the third V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra, corners with three equivalent VO5 trigonal bipyramids, faces with three equivalent BaO12 cuboctahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are three shorter (2.02 Å) and three longer (2.08 Å) V–O bond lengths. In the fourth V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO6 octahedra, corners with two equivalent VO5 trigonal bipyramids, edges with two equivalent BaO12 cuboctahedra, and edges with four equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of V–O bond distances ranging from 1.97–2.06 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four V+3.33+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four V+3.33+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three V+3.33+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three V+3.33+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+ and three V+3.33+ atoms.
DOI: 10.17188/1193594
title: Materials Data on KBaVO4 by Materials Project

description: KBaVO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.40 Å. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.29 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.75 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Ba2+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+, two equivalent Ba2+, and one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, three equivalent Ba2+, and one V5+ atom.