cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25345/c5zr62
title: MassIVE MSV000087257 - mascot export mgf result mztab test test test test test test test
title: test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test test
DOI: 10.25934/00006634
title: Association between steroid type (prednisone or deflazacort) and selected functional outcomes and disease milestones among non-ambulatory DMD patients

description: Vivli is an independent, non-profit organization that has developed a global data-sharing and analytics platform to serve all elements of the international research community. Our mission is to promote, coordinate, and facilitate scientific sharing and reuse of clinical research data through the creation and implementation of a sustainable global data-sharing enterprise. The Vivli platform includes an independent data repository, in-depth search engine and a cloud-based, secure analytics platform.
DOI: 10.5281/zenodo.4706942
title: Supplementary Appendix 1b of "Optimizing geographical accessibility to primary health care at community level in Niger: a geospatial analysis"

description: Supplementary Appendix 1b contains Supplementary Appendices 2-6, Videos 1-2, and all output datasets at 100m resolution and 1000m resolution for the research article "Optimizing geographical accessibility to primary health care at community level in Niger: a geospatial analysis" by Nicholas P. Oliphant, Nicolas Ray, Khaled Bensaid, Adama Ouedraogo, Asma Yaroh Gali, Oumarou Habi, Ibrahim Maazou, Rocco Panciera, Maria Muñiz, Zeynabu Sy, Debra Jackson, and Tanya Doherty. Files are available under the Creative Commons Attribution 4.0 International License. Tab "Readme" in the file "Supplementary Appendix 1b - Metadata" contains a description of all datasets contained in Supplementary Appendix 1b.
DOI: 10.3886/e122901v1-84500
title: Community Factors and Hospital Readmission Rates

description: <b>Background </b> The environment in which a patient lives influences their health outcomes. However, the degree to which community factors are associated with readmissions is uncertain. <b>Objective </b>To estimate the influence of community factors on the Centers for Medicare & Medicaid Services risk-standardized hospital-wide readmission measure (HWR). <b>Research Design </b>We assessed 71 community factors in 6 domains related to health outcomes: clinical care; health behaviors; social and economic factors; the physical environment; demographics; and social capital. <b>Subjects</b> Medicare fee-for-service patients eligible for the HWR measure between July 2014-June 2015 (n= 6,790,723). Patients were linked to community factors using their 5-digit zip code of residence. <b>Methods</b> We used a random forest algorithm to rank factors for their importance in predicting hospital HWR scores. Factors were entered into 6 domain-specific multivariable regression models in order of decreasing importance. Factors with with P-values &lt;0.10 were retained for a final model, after eliminating any that were collinear. <b>Results </b>Among 71 community factors, 19 were retained in the 6 domain models and the final model. Domains which explained the most to least variance in HWR were: physical environment (R2=15%); clinical care (12%); demographics (11%); social and economic environment (7%); health behaviors (9%); and social capital (8%). In the final model, the 19 factors explained more than a quarter of the variance in readmission rate (R2=27%). <b>Conclusions </b>Readmissions for a wide range of clinical conditions are influenced by factors relating to the communities in which patients reside. These findings can be used to target efforts to keep patients out of the hospital.
DOI: 10.5519/qd.a7oxaonj
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (12 records)
DOI: 10.25678/00040h
title: Data for: Chlorothalonil transformation products in drinking water resources: widespread and challenging to abate

description: Chlorothalonil, a fungicide applied for decades worldwide, has recently been banned in the European Union (EU) and Switzerland due to its carcinogenicity and the presence of potentially toxic transformation products (TPs) in groundwater. The spread and concentration range of chlorothalonil TPs in different drinking water resources was examined (73 groundwater and four surface water samples mainly from Switzerland). The chlorothalonil sulfonic acid TPs (R471811, R419492, R417888) occurred more frequently and at higher concentrations (detected in 65-100% of the samples, ≤2200 ngL-1) than the phenolic TPs (SYN507900, SYN548580, R611968; detected in 10-30% of the samples, ≤130 ngL-1). The TP R471811 was found in all samples and even in 52% of the samples above 100 ngL-1, the drinking water standard in Switzerland and other European countries. Therefore, the abatement of chlorothalonil TPs was investigated in laboratory and pilot-scale experiments and along the treatment train of various water works, comprising aquifer recharge, UV disinfection, ozonation, advanced oxidation processes (AOPs), activated carbon treatment, and reverse osmosis. The phenolic TPs can be abated during ozonation (second order rate constant kO3 ∼10^4 M-1s-1) and by reaction with hydroxyl radicals (OH) in AOPs (kOH ∼10^9 M-1s-1). In contrast, the sulfonic acid TPs, which occurred in higher concentrations in drinking water resources, react only very slowly with ozone (kO3 &lt;0.04 M-1s-1) and OH (kOH &lt;5.0 × 10^7 M-1s-1) and therefore persist in ozonation and OH-based AOPs. Activated carbon retained the very polar TP R471811 only up to a specific throughput of 25 m3kg-1 (20% breakthrough), similarly to the X-ray contrast agent diatrizoic acid. Reverse osmosis was capable of removing all chlorothalonil TPs by ≥98%.
DOI: 10.5281/zenodo.4707610
title: Data of "Peat soil burning in the Mezzano Lowland (Po Plain, Italy): triggering mechanisms and environmental consequences"

description: This file includes data concerning the carbon content and isotope composition of peat-soils from the Mezzano Low Land (northeastern Italy) where soil smoldering is observed.
DOI: 10.6084/m9.figshare.13536779.v5
title: Supplementary Appendix 1c of "Toward a geography of community health workers in Niger: a geospatial analysis"

description: Supplementary Appendix 1c contains all input datasets at 100m resolution and 1000m resolution used in the research article "Toward a geography of community health workers in Niger: a geospatial analysis" by Nicholas P. Oliphant, Nicolas Ray, Khaled Bensaid, Adama Ouedraogo, Asma Yaroh Gali, Oumarou Habi, Ibrahim Maazou, Rocco Panciera, Maria Muñiz, Zeynabu Sy, Debra Jackson, and Tanya Doherty. Files are available under the Creative Commons Attribution 4.0 International License. Attribution for input datasets is provided in Supplementary Appendix 1 of "Toward a geography of community health workers in Niger: a geospatial analysis" by Oliphant and colleagues.
DOI: 10.6084/m9.figshare.14460198
title: SIHS

description: Please email Dr. Brad Bushman (bushman.20@osu.edu) for any questions regarding the data.
DOI: 10.6084/m9.figshare.14460198.v1
title: SIHS

description: Please email Dr. Brad Bushman (bushman.20@osu.edu) for any questions regarding the data.
DOI: 10.6084/m9.figshare.14414981
title: IranData.sav

description: Please email Niloufar Lueke (niloufar.assar@gmail.com) if you have any questions about the analyses reported in the article titled: "Fundamentalism and intrinsic religiosity as factors in well-being and social connectedness: An Iranian study"<br>
DOI: 10.22008/fk2/b674ar/1ke24r
title: height.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/qoxpls
title: O3.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/majg4x
title: OAA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/qgd2ub
title: OZA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/sjzaz1
title: r_TOA_01.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/m8ic5q
title: r_TOA_02.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/lfkygd
title: r_TOA_03.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/sczvzs
title: r_TOA_04.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/ywquvm
title: r_TOA_05.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/savdj1
title: r_TOA_06.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/a4dx9d
title: r_TOA_07.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/iv4xdv
title: r_TOA_08.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/rvxmek
title: r_TOA_09.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/sojbpq
title: r_TOA_10.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/bwbhrk
title: r_TOA_11.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/bcmo8c
title: r_TOA_12.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/jvpfmz
title: r_TOA_13.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/z1redo
title: r_TOA_14.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/2ucmy1
title: r_TOA_15.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/xeg0xd
title: r_TOA_16.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/pziby0
title: r_TOA_17.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/hk6okx
title: r_TOA_18.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/bsnclc
title: r_TOA_19.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/3deon4
title: r_TOA_20.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/aaiffn
title: r_TOA_21.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/hkwyyx
title: SAA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/r8hz2f
title: SZA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/k7e8wo
title: WV.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/balvnt
title: O3.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/pfgphy
title: OAA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/kigxmv
title: OZA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/beqj6w
title: r_TOA_01.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/dczsvw
title: r_TOA_02.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/viob3v
title: r_TOA_03.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/go3ztx
title: r_TOA_04.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/z04a9p
title: r_TOA_05.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.6084/m9.figshare.12654545
title: English-language publications related to sex work & COVID-19 in mainstream media, February-May 2020

description: Sex workers face unique challenges and needs in the context of COVID-19, which have attracted considerable attention from journalists writing for mainstream news publications. <br>This database has archived 80 English-language articles published by mainstream publications during February through May 2020. Any ownership of these files is maintained by the copyright holder.
DOI: 10.22008/fk2/b674ar/j1zzy4
title: r_TOA_06.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/kx6oyg
title: r_TOA_07.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/wanqn1
title: r_TOA_08.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/6cwwqs
title: r_TOA_09.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/jcfhdu
title: r_TOA_10.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/gyhxsx
title: r_TOA_11.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/wujczx
title: r_TOA_12.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/zv7llp
title: r_TOA_13.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/1fvost
title: r_TOA_14.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/qhiifx
title: r_TOA_15.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/0bvsml
title: r_TOA_16.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/kzeoyi
title: r_TOA_17.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/wlclun
title: r_TOA_18.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/2mpiev
title: r_TOA_19.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/wtk8jz
title: r_TOA_20.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.22008/fk2/b674ar/rx4gwg
title: r_TOA_21.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc23jysd
title: CCDC 1952714: Experimental Crystal Structure Determination

description: Related Article: Kais Dhbaibi, Laura Abella, Sylvia Meunier-Della-Gatta, Thierry Roisnel, Nicolas Vanthuyne, Bassem Jamoussi, Grégory Pieters, Benoît Racine, Etienne Quesnel, Jochen Autschbach, Jeanne Crassous, Ludovic Favereau|2021|Chemical Science|12|5522|doi:10.1039/D0SC06895K
DOI: 10.5517/ccdc.csd.cc24rrh5
title: CCDC 1989037: Experimental Crystal Structure Determination

description: Related Article: AKSHAY KULKARNI|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc25bn4b
title: CCDC 2006231: Experimental Crystal Structure Determination

description: Related Article: Mario P. Wiesenfeldt, Daniel Moock, Daniel Paul, Frank Glorius|2021|Chemical Science|12|5611|doi:10.1039/D0SC07099H
DOI: 10.5517/ccdc.csd.cc25bn5c
title: CCDC 2006232: Experimental Crystal Structure Determination

description: Related Article: Mario P. Wiesenfeldt, Daniel Moock, Daniel Paul, Frank Glorius|2021|Chemical Science|12|5611|doi:10.1039/D0SC07099H
DOI: 10.22008/fk2/b674ar/mtjssx
title: r_TOA_S5.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc25ng3f
title: CCDC 2015654: Experimental Crystal Structure Determination

description: Related Article: Chaoran Xu, Jianglin Qiao, Shunxi Dong, Yuqiao Zhou, Xiaohua Liu, Xiaoming Feng|2021|Chemical Science|12|5458|doi:10.1039/D1SC01019K
DOI: 10.5517/ccdc.csd.cc25zcyh
title: CCDC 2025197: Experimental Crystal Structure Determination

description: Related Article: Chaoran Xu, Jianglin Qiao, Shunxi Dong, Yuqiao Zhou, Xiaohua Liu, Xiaoming Feng|2021|Chemical Science|12|5458|doi:10.1039/D1SC01019K
DOI: 10.22008/fk2/b674ar/3ymypg
title: SAA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc26pcw5
title: CCDC 2046337: Experimental Crystal Structure Determination

description: Related Article: Chaoran Xu, Jianglin Qiao, Shunxi Dong, Yuqiao Zhou, Xiaohua Liu, Xiaoming Feng|2021|Chemical Science|12|5458|doi:10.1039/D1SC01019K
DOI: 10.5517/ccdc.csd.cc26qwvp
title: CCDC 2047793: Experimental Crystal Structure Determination

description: Related Article: Kais Dhbaibi, Laura Abella, Sylvia Meunier-Della-Gatta, Thierry Roisnel, Nicolas Vanthuyne, Bassem Jamoussi, Grégory Pieters, Benoît Racine, Etienne Quesnel, Jochen Autschbach, Jeanne Crassous, Ludovic Favereau|2021|Chemical Science|12|5522|doi:10.1039/D0SC06895K
DOI: 10.22008/fk2/b674ar/54irgc
title: SZA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc26rh8r
title: CCDC 2048364: Experimental Crystal Structure Determination

description: Related Article: Kais Dhbaibi, Laura Abella, Sylvia Meunier-Della-Gatta, Thierry Roisnel, Nicolas Vanthuyne, Bassem Jamoussi, Grégory Pieters, Benoît Racine, Etienne Quesnel, Jochen Autschbach, Jeanne Crassous, Ludovic Favereau|2021|Chemical Science|12|5522|doi:10.1039/D0SC06895K
DOI: 10.5517/ccdc.csd.cc26wcs8
title: CCDC 2052100: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wct9
title: CCDC 2052101: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wcvb
title: CCDC 2052102: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.22008/fk2/b674ar/jaipyz
title: WV.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc26wcwc
title: CCDC 2052103: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wcyf
title: CCDC 2052105: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wczg
title: CCDC 2052106: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wd0j
title: CCDC 2052107: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wd1k
title: CCDC 2052108: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wd2l
title: CCDC 2052109: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.22008/fk2/b674ar/uanoxe
title: O3.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.5517/ccdc.csd.cc26wd3m
title: CCDC 2052110: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wd4n
title: CCDC 2052111: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.5517/ccdc.csd.cc26wd5p
title: CCDC 2052112: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Chemical Science|12|5616|doi:10.1039/D0SC07047E
DOI: 10.22008/fk2/b674ar/y3nzet
title: OAA.tif

description: SICE version: Cloud removed, PPGC, SNAP7
DOI: 10.17188/1200575
title: Materials Data on PrAg by Materials Project

description: PrAg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Pr–Ag bond lengths are 3.29 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.
DOI: 10.17188/1200577
title: Materials Data on TiO2 by Materials Project

description: TiO2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form edge-sharing TiO6 octahedra. All Ti–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to three equivalent Ti4+ atoms.
DOI: 10.17188/1200578
title: Materials Data on PrRh2 by Materials Project

description: PrRh2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Rh atoms. All Pr–Rh bond lengths are 3.19 Å. Rh is bonded to six equivalent Pr and six equivalent Rh atoms to form a mixture of edge, face, and corner-sharing RhPr6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.72 Å.
DOI: 10.17188/1200582
title: Materials Data on ScCo2 by Materials Project

description: ScCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Sc–Co bond lengths are 2.86 Å. Co is bonded to six equivalent Sc and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoSc6Co6 cuboctahedra. All Co–Co bond lengths are 2.44 Å.
DOI: 10.17188/1200583
title: Materials Data on Li2Te by Materials Project

description: Li2Te is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Te2- atoms to form a mixture of corner and edge-sharing LiTe4 tetrahedra. All Li–Te bond lengths are 2.82 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.
DOI: 10.17188/1200584
title: Materials Data on Ti(SiO3)2 by Materials Project

description: TiSi2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.84–2.17 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent TiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–58°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1200586
title: Materials Data on Er2Co17 by Materials Project

description: Er2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.92–3.24 Å. In the second Er site, Er is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Er–Co bond distances ranging from 2.88–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Er and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. In the second Co site, Co is bonded to two equivalent Er and ten Co atoms to form CoEr2Co10 cuboctahedra that share corners with fourteen CoEr2Co10 cuboctahedra, edges with six equivalent CoEr3Co9 cuboctahedra, and faces with ten CoEr2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Er and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.53 Å. In the fourth Co site, Co is bonded to three Er and nine Co atoms to form a mixture of distorted edge, face, and corner-sharing CoEr3Co9 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.