Materials Data on Sr2LaCl7 by Materials Project

doi:10.17188/1300917

Title: Materials Data on Sr2LaCl7 by Materials Project

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Abstract

Sr2LaCl7 crystallizes in the monoclinic P2_1/c 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 Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.07–3.37 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.04–3.41 Å. La3+ is bonded in a distorted pentagonal bipyramidal geometry to seven Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.78–2.92 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+more »« less

Publication Date:: 2020-04-28

Other Number(s):: mp-771888

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; Cl-La-Sr; crystal structure; Sr2LaCl7

OSTI Identifier:: 1300917

DOI:: https://doi.org/10.17188/1300917

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                    Materials Data on Sr2LaCl7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300917.

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                    Materials Data on Sr2LaCl7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300917

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                    2020.  
"Materials Data on Sr2LaCl7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300917.  https://www.osti.gov/servlets/purl/1300917. Pub date:Tue Apr 28 20:00:00 EDT 2020

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@article{osti_1300917,

  title        = {Materials Data on Sr2LaCl7 by Materials Project},

  
  abstractNote = {Sr2LaCl7 crystallizes in the monoclinic P2_1/c 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 Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.07–3.37 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.04–3.41 Å. La3+ is bonded in a distorted pentagonal bipyramidal geometry to seven Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.78–2.92 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three Sr2+ and one La3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two Sr2+ and one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the sixth Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ClSr3La tetrahedra. In the seventh Cl1- site, Cl1- is bonded to three Sr2+ and one La3+ atom to form a mixture of corner and edge-sharing ClSr3La tetrahedra.},

  doi          = {10.17188/1300917},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1300917

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