Materials Data on La10Si8O3 by Materials Project

doi:10.17188/1268817

Title: Materials Data on La10Si8O3 by Materials Project

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Abstract

La10Si8O3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted bent 150 degrees geometry to six Si3- and two equivalent O2- atoms. There are four shorter (3.25 Å) and two longer (3.31 Å) La–Si bond lengths. Both La–O bond lengths are 2.85 Å. In the second La3+ site, La3+ is bonded in a distorted linear geometry to four Si3- and two equivalent O2- atoms. There are two shorter (3.09 Å) and two longer (3.17 Å) La–Si bond lengths. Both La–O bond lengths are 2.34 Å. In the third La3+ site, La3+ is bonded to twelve equivalent Si3- atoms to form face-sharing LaSi12 cuboctahedra. All La–Si bond lengths are 3.35 Å. There are two inequivalent Si3- sites. In the first Si3- site, Si3- is bonded in a 9-coordinate geometry to seven La3+ and two equivalent Si3- atoms. Both Si–Si bond lengths are 2.40 Å. In the second Si3- site, Si3- is bonded in a 9-coordinate geometry to nine La3+ atoms. O2- is bonded to six La3+ atoms to form corner-sharing OLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-555465

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; La10Si8O3; La-O-Si

OSTI Identifier:: 1268817

DOI:: https://doi.org/10.17188/1268817

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                    The Materials Project. Materials Data on La10Si8O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268817.

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                    The Materials Project. Materials Data on La10Si8O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268817

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                    The Materials Project. 2020.  
"Materials Data on La10Si8O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268817.  https://www.osti.gov/servlets/purl/1268817. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1268817,

  title        = {Materials Data on La10Si8O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La10Si8O3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted bent 150 degrees geometry to six Si3- and two equivalent O2- atoms. There are four shorter (3.25 Å) and two longer (3.31 Å) La–Si bond lengths. Both La–O bond lengths are 2.85 Å. In the second La3+ site, La3+ is bonded in a distorted linear geometry to four Si3- and two equivalent O2- atoms. There are two shorter (3.09 Å) and two longer (3.17 Å) La–Si bond lengths. Both La–O bond lengths are 2.34 Å. In the third La3+ site, La3+ is bonded to twelve equivalent Si3- atoms to form face-sharing LaSi12 cuboctahedra. All La–Si bond lengths are 3.35 Å. There are two inequivalent Si3- sites. In the first Si3- site, Si3- is bonded in a 9-coordinate geometry to seven La3+ and two equivalent Si3- atoms. Both Si–Si bond lengths are 2.40 Å. In the second Si3- site, Si3- is bonded in a 9-coordinate geometry to nine La3+ atoms. O2- is bonded to six La3+ atoms to form corner-sharing OLa6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°.},

  doi          = {10.17188/1268817},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268817

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