Materials Data on La3Si2ClO8 by Materials Project

doi:10.17188/1270593

Title: Materials Data on La3Si2ClO8 by Materials Project

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Abstract

La3Si2O8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.61–2.70 Å. The La–Cl bond length is 2.99 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.48–2.92 Å. The La–Cl bond length is 2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+more »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-558985

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; La3Si2ClO8; Cl-La-O-Si

OSTI Identifier:: 1270593

DOI:: https://doi.org/10.17188/1270593

Citation Formats


                    The Materials Project. Materials Data on La3Si2ClO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270593.

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                    The Materials Project. Materials Data on La3Si2ClO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270593

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                    The Materials Project. 2020.  
"Materials Data on La3Si2ClO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270593.  https://www.osti.gov/servlets/purl/1270593. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1270593,

  title        = {Materials Data on La3Si2ClO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Si2O8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.61–2.70 Å. The La–Cl bond length is 2.99 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.48–2.92 Å. The La–Cl bond length is 2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. Cl1- is bonded in a 3-coordinate geometry to three La3+ atoms.},

  doi          = {10.17188/1270593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270593

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