Materials Data on Er20Si12C by Materials Project

doi:10.17188/1696089

Title: Materials Data on Er20Si12C by Materials Project

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Abstract

Er20Si12C crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. All Er–Si bond lengths are 3.01 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.98–3.01 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.98–3.04 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are four shorter (2.99 Å) and two longer (3.04 Å) Er–Si bond lengths. In the fifth Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.90–3.62 Å. The Er–C bond length is 2.42 Å. In the sixth Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.89–3.38 Å. In the seventh Er site, Er ismore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225168

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; Er20Si12C; C-Er-Si

OSTI Identifier:: 1696089

DOI:: https://doi.org/10.17188/1696089

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                    The Materials Project. Materials Data on Er20Si12C by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1696089.

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                    The Materials Project. Materials Data on Er20Si12C by Materials Project.  United States.  doi:https://doi.org/10.17188/1696089

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                    The Materials Project. 2019.  
"Materials Data on Er20Si12C by Materials Project".  United States.  doi:https://doi.org/10.17188/1696089.  https://www.osti.gov/servlets/purl/1696089. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1696089,

  title        = {Materials Data on Er20Si12C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er20Si12C crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are eight inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. All Er–Si bond lengths are 3.01 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.98–3.01 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.98–3.04 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are four shorter (2.99 Å) and two longer (3.04 Å) Er–Si bond lengths. In the fifth Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.90–3.62 Å. The Er–C bond length is 2.42 Å. In the sixth Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.89–3.38 Å. In the seventh Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.87–3.41 Å. In the eighth Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.89–3.57 Å. The Er–C bond length is 2.45 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. C is bonded in an octahedral geometry to six Er atoms.},

  doi          = {10.17188/1696089},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1696089

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