Materials Data on SrLaI5 by Materials Project

doi:10.17188/1301086

Title: Materials Data on SrLaI5 by Materials Project

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Abstract

SrLaI5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Sr–I bond distances ranging from 3.41–4.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.42–3.97 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.25–3.41 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.25–3.40 Å. There are ten inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent La3+ atoms.more »« less

Publication Date:: 2020-07-15

Other Number(s):: mp-772160

DOE Contract Number:: AC02-05CH11231

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

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; I-La-Sr; SrLaI5; crystal structure

OSTI Identifier:: 1301086

DOI:: https://doi.org/10.17188/1301086

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                    Materials Data on SrLaI5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301086.

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                    Materials Data on SrLaI5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301086

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                    2020.  
"Materials Data on SrLaI5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301086.  https://www.osti.gov/servlets/purl/1301086. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1301086,

  title        = {Materials Data on SrLaI5 by Materials Project},

  
  abstractNote = {SrLaI5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Sr–I bond distances ranging from 3.41–4.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight I1- atoms. There are a spread of Sr–I bond distances ranging from 3.42–3.97 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.25–3.41 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.25–3.40 Å. There are ten inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms. In the seventh I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the eighth I1- site, I1- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ atoms. In the ninth I1- site, I1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the tenth I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two La3+ atoms.},

  doi          = {10.17188/1301086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1301086

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