Materials Data on Ca2SiIr2 by Materials Project

doi:10.17188/1204734

Title: Materials Data on Ca2SiIr2 by Materials Project

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Abstract

Ca2Ir2Si crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to six equivalent Ir and one Si atom. There are a spread of Ca–Ir bond distances ranging from 3.01–3.15 Å. The Ca–Si bond length is 3.10 Å. Ir is bonded in a 9-coordinate geometry to six equivalent Ca, one Ir, and two equivalent Si atoms. The Ir–Ir bond length is 2.65 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Ir–Si bond lengths. Si is bonded in a 4-coordinate geometry to two equivalent Ca and four equivalent Ir atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-30312

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; Ca2SiIr2; Ca-Ir-Si

OSTI Identifier:: 1204734

DOI:: https://doi.org/10.17188/1204734

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                    The Materials Project. Materials Data on Ca2SiIr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204734.

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                    The Materials Project. Materials Data on Ca2SiIr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204734

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                    The Materials Project. 2020.  
"Materials Data on Ca2SiIr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204734.  https://www.osti.gov/servlets/purl/1204734. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204734,

  title        = {Materials Data on Ca2SiIr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2Ir2Si crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to six equivalent Ir and one Si atom. There are a spread of Ca–Ir bond distances ranging from 3.01–3.15 Å. The Ca–Si bond length is 3.10 Å. Ir is bonded in a 9-coordinate geometry to six equivalent Ca, one Ir, and two equivalent Si atoms. The Ir–Ir bond length is 2.65 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Ir–Si bond lengths. Si is bonded in a 4-coordinate geometry to two equivalent Ca and four equivalent Ir atoms.},

  doi          = {10.17188/1204734},

  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/10.17188/1204734

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