Materials Data on La4YC10 by Materials Project

doi:10.17188/1682160

Title: Materials Data on La4YC10 by Materials Project

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Abstract

La4YC10 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.61–2.86 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.61–2.91 Å. Y3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Y–C bond distances ranging from 2.60–2.86 Å. There are three inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four La3+, one Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent La3+, three equivalent Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1223098

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; La4YC10; C-La-Y

OSTI Identifier:: 1682160

DOI:: https://doi.org/10.17188/1682160

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                    The Materials Project. Materials Data on La4YC10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682160.

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                    The Materials Project. Materials Data on La4YC10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682160

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                    The Materials Project. 2020.  
"Materials Data on La4YC10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682160.  https://www.osti.gov/servlets/purl/1682160. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1682160,

  title        = {Materials Data on La4YC10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La4YC10 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.61–2.86 Å. In the second La3+ site, La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of La–C bond distances ranging from 2.61–2.91 Å. Y3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Y–C bond distances ranging from 2.60–2.86 Å. There are three inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to four La3+, one Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to five La3+ and one C+1.50- atom. The C–C bond length is 1.30 Å. In the third C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent La3+, three equivalent Y3+, and one C+1.50- atom. The C–C bond length is 1.30 Å.},

  doi          = {10.17188/1682160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1682160

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