Materials Data on Ca3Zn by Materials Project

doi:10.17188/1204890

Title: Materials Data on Ca3Zn by Materials Project

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Abstract

Ca3Zn crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ca3Zn sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted L-shaped geometry to two equivalent Zn atoms. Both Ca–Zn bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Zn atoms. There are two shorter (3.16 Å) and one longer (3.44 Å) Ca–Zn bond lengths. Zn is bonded in a 8-coordinate geometry to eight Ca atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30485

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; Ca3Zn; Ca-Zn

OSTI Identifier:: 1204890

DOI:: https://doi.org/10.17188/1204890

Citation Formats


                    The Materials Project. Materials Data on Ca3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204890.

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                    The Materials Project. Materials Data on Ca3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1204890

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                    The Materials Project. 2020.  
"Materials Data on Ca3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1204890.  https://www.osti.gov/servlets/purl/1204890. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204890,

  title        = {Materials Data on Ca3Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Zn crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Ca3Zn sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted L-shaped geometry to two equivalent Zn atoms. Both Ca–Zn bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Zn atoms. There are two shorter (3.16 Å) and one longer (3.44 Å) Ca–Zn bond lengths. Zn is bonded in a 8-coordinate geometry to eight Ca atoms.},

  doi          = {10.17188/1204890},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204890

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