Materials Data on Sr3La2Cl12 by Materials Project

doi:10.17188/1298471

Title: Materials Data on Sr3La2Cl12 by Materials Project

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Abstract

Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–3.19 Å. La3+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.83–3.18 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded to twomore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-768615

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Sr3La2Cl12; Cl-La-Sr

OSTI Identifier:: 1298471

DOI:: https://doi.org/10.17188/1298471

Citation Formats


                    The Materials Project. Materials Data on Sr3La2Cl12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298471.

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                    The Materials Project. Materials Data on Sr3La2Cl12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298471

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                    The Materials Project. 2020.  
"Materials Data on Sr3La2Cl12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298471.  https://www.osti.gov/servlets/purl/1298471. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1298471,

  title        = {Materials Data on Sr3La2Cl12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–3.19 Å. La3+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.83–3.18 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded to two Sr2+ and two equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing ClSr2La2 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one La3+ atom.},

  doi          = {10.17188/1298471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298471

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