Materials Data on Ce3(Si4Ni)2 by Materials Project

doi:10.17188/1261835

Title: Materials Data on Ce3(Si4Ni)2 by Materials Project

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Abstract

Ce3Ni2Si8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 12-coordinate geometry to sixteen Si2- atoms. There are a spread of Ce–Si bond distances ranging from 3.16–3.28 Å. In the second Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Ce–Si bond distances ranging from 3.08–3.19 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are a spread of Ni–Si bond distances ranging from 2.28–2.35 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 8-coordinate geometry to four Ce4+, two equivalent Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to six equivalent Ce4+, one Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.44 Å. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Ce4+, two equivalent Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the fourth Si2- site, Si2- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-504613

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; Ce3(Si4Ni)2; Ce-Ni-Si

OSTI Identifier:: 1261835

DOI:: https://doi.org/10.17188/1261835

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                    The Materials Project. Materials Data on Ce3(Si4Ni)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261835.

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                    The Materials Project. Materials Data on Ce3(Si4Ni)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1261835

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                    The Materials Project. 2020.  
"Materials Data on Ce3(Si4Ni)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1261835.  https://www.osti.gov/servlets/purl/1261835. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1261835,

  title        = {Materials Data on Ce3(Si4Ni)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Ni2Si8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 12-coordinate geometry to sixteen Si2- atoms. There are a spread of Ce–Si bond distances ranging from 3.16–3.28 Å. In the second Ce4+ site, Ce4+ is bonded in a 10-coordinate geometry to ten Si2- atoms. There are a spread of Ce–Si bond distances ranging from 3.08–3.19 Å. Ni2+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are a spread of Ni–Si bond distances ranging from 2.28–2.35 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 8-coordinate geometry to four Ce4+, two equivalent Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 9-coordinate geometry to six equivalent Ce4+, one Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.44 Å. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Ce4+, two equivalent Ni2+, and two equivalent Si2- atoms. Both Si–Si bond lengths are 2.45 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to four equivalent Ce4+ and five Si2- atoms. The Si–Si bond length is 2.36 Å.},

  doi          = {10.17188/1261835},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1261835

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