Materials Data on ThSi2Ni by Materials Project

doi:10.17188/1355650

Title: Materials Data on ThSi2Ni by Materials Project

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Abstract

ThNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are six shorter (3.12 Å) and four longer (3.15 Å) Th–Si bond lengths. Ni4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.32–2.36 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+, one Ni4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Ni4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1025413

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; ThSi2Ni; Ni-Si-Th

OSTI Identifier:: 1355650

DOI:: https://doi.org/10.17188/1355650

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                    The Materials Project. Materials Data on ThSi2Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355650.

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                    The Materials Project. Materials Data on ThSi2Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1355650

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                    The Materials Project. 2020.  
"Materials Data on ThSi2Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1355650.  https://www.osti.gov/servlets/purl/1355650. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1355650,

  title        = {Materials Data on ThSi2Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are six shorter (3.12 Å) and four longer (3.15 Å) Th–Si bond lengths. Ni4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.32–2.36 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+, one Ni4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Ni4+ atoms.},

  doi          = {10.17188/1355650},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355650

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