Materials Data on Cd2P3Cl by Materials Project

doi:10.17188/1203626

Title: Materials Data on Cd2P3Cl by Materials Project

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Abstract

Cd2P3Cl 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 in a 4-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.73 Å) and one longer (3.43 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.72 Å) and one longer (3.42 Å) Cd–Cl 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 corner-sharing PCd2P2 tetrahedra. 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 corner-sharing PCd2P2 trigonal pyramids. 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 corner-sharing PCd2P2 trigonal pyramids. Cl1- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-29246

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; Cd2P3Cl; Cd-Cl-P

OSTI Identifier:: 1203626

DOI:: https://doi.org/10.17188/1203626

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                    The Materials Project. Materials Data on Cd2P3Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203626.

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                    The Materials Project. Materials Data on Cd2P3Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1203626

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                    The Materials Project. 2020.  
"Materials Data on Cd2P3Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1203626.  https://www.osti.gov/servlets/purl/1203626. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1203626,

  title        = {Materials Data on Cd2P3Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd2P3Cl 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 in a 4-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.73 Å) and one longer (3.43 Å) Cd–Cl bond lengths. In the second Cd2+ site, Cd2+ is bonded in a 5-coordinate geometry to three P1- and two equivalent Cl1- atoms. There are a spread of Cd–P bond distances ranging from 2.57–2.67 Å. There are one shorter (2.72 Å) and one longer (3.42 Å) Cd–Cl 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 corner-sharing PCd2P2 tetrahedra. 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 corner-sharing PCd2P2 trigonal pyramids. 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 corner-sharing PCd2P2 trigonal pyramids. Cl1- is bonded in a distorted L-shaped geometry to four Cd2+ atoms.},

  doi          = {10.17188/1203626},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203626

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