Materials Data on Cd2P3Br by Materials Project

doi:10.17188/1203625

Title: Materials Data on Cd2P3Br by Materials Project

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Abstract

Cd2P3Br crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to three P1- and two equivalent Br1- atoms to form distorted CdP3Br2 trigonal bipyramids that share corners with six PCd2P2 tetrahedra, corners with seven CdP3Br2 trigonal bipyramids, and an edgeedge with one CdP3Br2 trigonal bipyramid. There are a spread of Cd–P bond distances ranging from 2.59–2.67 Å. There are one shorter (2.89 Å) and one longer (3.31 Å) Cd–Br bond lengths. In the second Cd2+ site, Cd2+ is bonded to three P1- and two equivalent Br1- atoms to form distorted CdP3Br2 trigonal bipyramids that share corners with six PCd2P2 tetrahedra, corners with seven CdP3Br2 trigonal bipyramids, and an edgeedge with one CdP3Br2 trigonal bipyramid. There are a spread of Cd–P bond distances ranging from 2.59–2.68 Å. There are one shorter (2.89 Å) and one longer (3.31 Å) Cd–Br bond lengths. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded to two Cd2+ and two P1- atoms to form distorted PCd2P2 tetrahedra that share corners with six PCd2P2 tetrahedra and corners with four CdP3Br2 trigonal bipyramids. Both P–P bond lengthsmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-29245

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; Cd2P3Br; Br-Cd-P

OSTI Identifier:: 1203625

DOI:: https://doi.org/10.17188/1203625

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                    The Materials Project. Materials Data on Cd2P3Br by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203625.

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                    The Materials Project. Materials Data on Cd2P3Br by Materials Project.  United States.  doi:https://doi.org/10.17188/1203625

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                    The Materials Project. 2020.  
"Materials Data on Cd2P3Br by Materials Project".  United States.  doi:https://doi.org/10.17188/1203625.  https://www.osti.gov/servlets/purl/1203625. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203625,

  title        = {Materials Data on Cd2P3Br by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd2P3Br crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to three P1- and two equivalent Br1- atoms to form distorted CdP3Br2 trigonal bipyramids that share corners with six PCd2P2 tetrahedra, corners with seven CdP3Br2 trigonal bipyramids, and an edgeedge with one CdP3Br2 trigonal bipyramid. There are a spread of Cd–P bond distances ranging from 2.59–2.67 Å. There are one shorter (2.89 Å) and one longer (3.31 Å) Cd–Br bond lengths. In the second Cd2+ site, Cd2+ is bonded to three P1- and two equivalent Br1- atoms to form distorted CdP3Br2 trigonal bipyramids that share corners with six PCd2P2 tetrahedra, corners with seven CdP3Br2 trigonal bipyramids, and an edgeedge with one CdP3Br2 trigonal bipyramid. There are a spread of Cd–P bond distances ranging from 2.59–2.68 Å. There are one shorter (2.89 Å) and one longer (3.31 Å) Cd–Br bond lengths. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded to two Cd2+ and two P1- atoms to form distorted PCd2P2 tetrahedra that share corners with six PCd2P2 tetrahedra and corners with four CdP3Br2 trigonal bipyramids. Both P–P bond lengths are 2.21 Å. In the second P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted PCd2P2 tetrahedra that share corners with six PCd2P2 tetrahedra and corners with four CdP3Br2 trigonal bipyramids. The P–P bond length is 2.20 Å. In the third P1- site, P1- is bonded to two equivalent Cd2+ and two P1- atoms to form distorted PCd2P2 tetrahedra that share corners with six PCd2P2 tetrahedra and corners with four CdP3Br2 trigonal bipyramids. Br1- is bonded in a rectangular see-saw-like geometry to four Cd2+ atoms.},

  doi          = {10.17188/1203625},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203625

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