Materials Data on Sr2LaCl7 by Materials Project

doi:10.17188/1300915

Title: Materials Data on Sr2LaCl7 by Materials Project

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Abstract

Sr2LaCl7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–2.99 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.96–3.20 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.19 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.53 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.76–2.86 Å. In the second La3+ site, La3+ is bonded in a pentagonal pyramidal geometry to six Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.75–2.88 Å. There are fourteen inequivalent Cl1- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-771879

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; Sr2LaCl7; Cl-La-Sr

OSTI Identifier:: 1300915

DOI:: https://doi.org/10.17188/1300915

Citation Formats


                    The Materials Project. Materials Data on Sr2LaCl7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300915.

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                    The Materials Project. Materials Data on Sr2LaCl7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300915

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                    The Materials Project. 2020.  
"Materials Data on Sr2LaCl7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300915.  https://www.osti.gov/servlets/purl/1300915. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1300915,

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

  author       = {The Materials Project},

  abstractNote = {Sr2LaCl7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.90–2.99 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.96–3.20 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.19 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 2.93–3.53 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.76–2.86 Å. In the second La3+ site, La3+ is bonded in a pentagonal pyramidal geometry to six Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.75–2.88 Å. There are fourteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Sr2+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate 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 one La3+ atom. In the fourth Cl1- site, Cl1- is bonded in a trigonal planar geometry to two Sr2+ and one La3+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to one Sr2+ and one La3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two Sr2+ and one La3+ atom. In the seventh Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the eighth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one La3+ atom. In the ninth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Sr2+ atoms. In the tenth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms. In the eleventh Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sr2+ and one La3+ atom. In the twelfth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sr2+ and one La3+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom. In the fourteenth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Sr2+ and one La3+ atom.},

  doi          = {10.17188/1300915},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1300915

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