Materials Data on ErC3O8 by Materials Project

doi:10.17188/1711949

Title: Materials Data on ErC3O8 by Materials Project

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Abstract

ErC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Er–O bond distances ranging from 2.15–2.63 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the second O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one C atom. In the fourth O site, O is bonded in anmore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1199532

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; ErC3O8; C-Er-O

OSTI Identifier:: 1711949

DOI:: https://doi.org/10.17188/1711949

Citation Formats


                    The Materials Project. Materials Data on ErC3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711949.

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                    The Materials Project. Materials Data on ErC3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711949

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                    The Materials Project. 2020.  
"Materials Data on ErC3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711949.  https://www.osti.gov/servlets/purl/1711949. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1711949,

  title        = {Materials Data on ErC3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Er–O bond distances ranging from 2.15–2.63 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the second O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one C atom. In the fourth O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Er and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Er and one C atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a linear geometry to one Er and one C atom.},

  doi          = {10.17188/1711949},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711949

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