Materials Data on CaGaN by Materials Project

doi:10.17188/1287627

Title: Materials Data on CaGaN by Materials Project

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Abstract

CaGaN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaGaN sheet oriented in the (0, 0, 1) direction. Ca is bonded to five equivalent N atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.41 Å) and four longer (2.55 Å) Ca–N bond lengths. Ga is bonded in a single-bond geometry to one N atom. The Ga–N bond length is 1.86 Å. N is bonded to five equivalent Ca and one Ga atom to form a mixture of corner and edge-sharing NCa5Ga octahedra. The corner-sharing octahedral tilt angles are 8°.

Publication Date:: 2020-07-16

Other Number(s):: mp-7263

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca-Ga-N; CaGaN; crystal structure

OSTI Identifier:: 1287627

DOI:: https://doi.org/10.17188/1287627

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                    Materials Data on CaGaN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287627.

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                    Materials Data on CaGaN by Materials Project.  United States.  doi:https://doi.org/10.17188/1287627

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                    2020.  
"Materials Data on CaGaN by Materials Project".  United States.  doi:https://doi.org/10.17188/1287627.  https://www.osti.gov/servlets/purl/1287627. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1287627,

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

  
  abstractNote = {CaGaN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaGaN sheet oriented in the (0, 0, 1) direction. Ca is bonded to five equivalent N atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.41 Å) and four longer (2.55 Å) Ca–N bond lengths. Ga is bonded in a single-bond geometry to one N atom. The Ga–N bond length is 1.86 Å. N is bonded to five equivalent Ca and one Ga atom to form a mixture of corner and edge-sharing NCa5Ga octahedra. The corner-sharing octahedral tilt angles are 8°.},

  doi          = {10.17188/1287627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287627

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