Materials Data on Ce2In3Ru2 by Materials Project

doi:10.17188/1280497

Title: Materials Data on Ce2In3Ru2 by Materials Project

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Abstract

Ce2Ru2In3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.45 Å) and two longer (3.47 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.20–3.42 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.44 Å) and two longer (3.46 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.42 Å. In the third Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.36 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.39–3.72 Å. In the fourth Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.35 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-645068

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; Ce2In3Ru2; Ce-In-Ru

OSTI Identifier:: 1280497

DOI:: https://doi.org/10.17188/1280497

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                    The Materials Project. Materials Data on Ce2In3Ru2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280497.

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                    The Materials Project. Materials Data on Ce2In3Ru2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280497

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                    The Materials Project. 2020.  
"Materials Data on Ce2In3Ru2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280497.  https://www.osti.gov/servlets/purl/1280497. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1280497,

  title        = {Materials Data on Ce2In3Ru2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2Ru2In3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.45 Å) and two longer (3.47 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.20–3.42 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.44 Å) and two longer (3.46 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.42 Å. In the third Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.36 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.39–3.72 Å. In the fourth Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.35 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.39–3.72 Å. In the fifth Ce site, Ce is bonded in a 6-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.44 Å) and two longer (3.46 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.41 Å. In the sixth Ce site, Ce is bonded in a 1-coordinate geometry to four Ru and nine In atoms. There are two shorter (3.44 Å) and two longer (3.46 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.41 Å. In the seventh Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.36 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.39–3.73 Å. In the eighth Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two Ru and seven In atoms. There are one shorter (2.37 Å) and one longer (2.40 Å) Ce–Ru bond lengths. There are a spread of Ce–In bond distances ranging from 3.39–3.74 Å. There are eight inequivalent Ru sites. In the first Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and four In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.91 Å. In the second Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and six In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.87 Å. In the third Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and four In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.91 Å. In the fourth Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and six In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.88 Å. In the fifth Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and four In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.91 Å. In the sixth Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and six In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.87 Å. In the seventh Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and six In atoms. There are a spread of Ru–In bond distances ranging from 2.81–2.87 Å. In the eighth Ru site, Ru is bonded in a 1-coordinate geometry to three Ce and four In atoms. There are a spread of Ru–In bond distances ranging from 2.80–2.91 Å. There are twelve inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to five Ce, three Ru, and four In atoms. There are a spread of In–In bond distances ranging from 2.97–3.26 Å. In the second In site, In is bonded in a 12-coordinate geometry to six Ce, three Ru, and three In atoms. There are one shorter (2.96 Å) and two longer (3.24 Å) In–In bond lengths. In the third In site, In is bonded in a 12-coordinate geometry to six Ce, three Ru, and three In atoms. There are one shorter (2.95 Å) and two longer (3.24 Å) In–In bond lengths. In the fourth In site, In is bonded in a 4-coordinate geometry to five Ce, four Ru, and three In atoms. Both In–In bond lengths are 3.26 Å. In the fifth In site, In is bonded in a 3-coordinate geometry to five Ce, three Ru, and four In atoms. There are one shorter (2.96 Å) and one longer (3.09 Å) In–In bond lengths. In the sixth In site, In is bonded in a 4-coordinate geometry to five Ce, four Ru, and three In atoms. There are one shorter (3.10 Å) and two longer (3.25 Å) In–In bond lengths. In the seventh In site, In is bonded in a 12-coordinate geometry to six Ce, three Ru, and three In atoms. In the eighth In site, In is bonded in a 4-coordinate geometry to five Ce, four Ru, and three In atoms. There are one shorter (3.10 Å) and two longer (3.26 Å) In–In bond lengths. In the ninth In site, In is bonded in a 3-coordinate geometry to five Ce, three Ru, and four In atoms. In the tenth In site, In is bonded in a 4-coordinate geometry to five Ce, four Ru, and three In atoms. In the eleventh In site, In is bonded in a 12-coordinate geometry to six Ce, three Ru, and three In atoms. In the twelfth In site, In is bonded in a 3-coordinate geometry to five Ce, three Ru, and four In atoms.},

  doi          = {10.17188/1280497},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280497

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