Materials Data on SrLaI4 by Materials Project

doi:10.17188/1204536

Title: Materials Data on SrLaI4 by Materials Project

Abstract

SrLaI4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.37–3.56 Å. La2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.33–3.46 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent La2+ atoms.

Publication Date:: 2017-05-10

Other Number(s):: mp-30110

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SrLaI4; I-La-Sr

OSTI Identifier:: 1204536

DOI:: https://doi.org/10.17188/1204536

Citation Formats


                    The Materials Project. Materials Data on SrLaI4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204536.

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                    The Materials Project. Materials Data on SrLaI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204536

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                    The Materials Project. 2017.  
"Materials Data on SrLaI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204536.  https://www.osti.gov/servlets/purl/1204536. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1204536,

  title        = {Materials Data on SrLaI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrLaI4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.37–3.56 Å. La2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.33–3.46 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent La2+ atoms.},

  doi          = {10.17188/1204536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204536

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)