Materials Data on Er3CrB7 by Materials Project

doi:10.17188/1190706

Title: Materials Data on Er3CrB7 by Materials Project

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Abstract

Er3CrB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.67 Å. In the second Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.70 Å. Cr6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Cr–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.74 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.84 Å) andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-14503

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; Er3CrB7; B-Cr-Er

OSTI Identifier:: 1190706

DOI:: https://doi.org/10.17188/1190706

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                    The Materials Project. Materials Data on Er3CrB7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190706.

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                    The Materials Project. Materials Data on Er3CrB7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190706

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                    The Materials Project. 2020.  
"Materials Data on Er3CrB7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190706.  https://www.osti.gov/servlets/purl/1190706. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1190706,

  title        = {Materials Data on Er3CrB7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3CrB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.67 Å. In the second Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.70 Å. Cr6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Cr–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.74 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.84 Å) and one longer (1.87 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Er3+ and three B+2.14- atoms. Both B–B bond lengths are 1.95 Å.},

  doi          = {10.17188/1190706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190706

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