Covalency is Frustrating: La2Sn2O7 and the Nature of Bonding in Pyrochlores under High Pressure–Temperature Conditions

Childs, Christian; Lawler, Keith V.; Hector, Andrew L.; Petitgirard, Sylvain; Noked, Ori; Smith, Jesse S.; Daisenberger, Dominik; Bezacier, Lucile; Jura, Marek; Pickard, Chris J.; Salamat, Ashkan

doi:10.1021/acs.inorgchem.8b01419

Title: Covalency is Frustrating: La₂Sn₂O₇ and the Nature of Bonding in Pyrochlores under High Pressure–Temperature Conditions

Journal Article · Mon Jul 02 00:00:00 EDT 2018 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.8b01419· OSTI ID:1488480

Childs, Christian ^[1];

^[2];

^[3]; Petitgirard, Sylvain ^[4]; Noked, Ori ^[5]; Smith, Jesse S. ^[6]; Daisenberger, Dominik ^[7]; Bezacier, Lucile ^[8]; Jura, Marek ^[9]; Pickard, Chris J. ^[10]; Salamat, Ashkan ^[1]

Department of Physics and Astronomy and HiPSEC, University of Nevada Las Vegas, Las Vegas, Nevada 89154, United States
Department of Chemistry and Biochemistry and HiPSEC, University of Nevada Las Vegas, Las Vegas, Nevada 89154, United States
Department of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom
Bayerisches GeoInstitut (BGI), University of Bayreuth, 95444 Bayreuth, Germany
Lyman Laboratory of Physics, Harvard University, Cambridge, Massachusetts 02138, United States
High Pressure Collaborating Access Team at Advanced Photon Source, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439, United States
Diamond Light Source Ltd., Didcot, Oxfordshire OX11 0DE, United Kingdom
European Synchrotron Radiation Facility, BP 220, 38043 Grenoble, Cedex 9, France
ISIS, STFC, Harwell Innovation Campus, Didcot, Oxfordshire OX11 0QX, United Kingdom
Department of Materials Science &, Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom; Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

OSTI ID:: 1488480

Journal Information:: Inorganic Chemistry, Vol. 57, Issue 24; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: ENGLISH

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Title: Covalency is Frustrating: La₂Sn₂O₇ and the Nature of Bonding in Pyrochlores under High Pressure–Temperature Conditions