Materials Data on Cd(HO)2 by Materials Project

doi:10.17188/1278298

Title: Materials Data on Cd(HO)2 by Materials Project

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Abstract

Cd(OH)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length ismore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-625094

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; Cd(HO)2; Cd-H-O

OSTI Identifier:: 1278298

DOI:: https://doi.org/10.17188/1278298

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                    The Materials Project. Materials Data on Cd(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278298.

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                    The Materials Project. Materials Data on Cd(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278298

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                    The Materials Project. 2020.  
"Materials Data on Cd(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278298.  https://www.osti.gov/servlets/purl/1278298. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1278298,

  title        = {Materials Data on Cd(HO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(OH)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form a mixture of edge, corner, and face-sharing CdO6 octahedra. The corner-sharing octahedra tilt angles range from 31–64°. There are a spread of Cd–O bond distances ranging from 2.29–2.51 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four Cd2+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cd2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom.},

  doi          = {10.17188/1278298},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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Materials Data on Cd(HO)2 by Materials Project

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Cd(OH)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.29–2.35 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site,more »« less
Materials Data on Cd(HO)2 by Materials Project

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Cd(OH)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Cd(OH)2 sheet oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent O2- atoms to form edge-sharing CdO6 octahedra. All Cd–O bond lengths are 2.35 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a single-bond geometry to three equivalent Cd2+ and one H1+ atom.
Materials Data on Cd(HO)2 by Materials Project

Dataset The Materials Project

Cd(OH)2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Cd(OH)2 sheet oriented in the (0, 0, 1) direction. Cd2+ is bonded in a distorted q6 geometry to three equivalent H1+ and six O2- atoms. All Cd–H bond lengths are 2.22 Å. There are three shorter (2.39 Å) and three longer (2.43 Å) Cd–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to three equivalent Cd2+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site,more »« less
Materials Data on Cd(HO)2 by Materials Project

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