Materials Data on K2MnH4(Cl2O)2 by Materials Project

doi:10.17188/1207979

Title: Materials Data on K2MnH4(Cl2O)2 by Materials Project

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Abstract

K2MnH4(OCl2)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. There are four shorter (3.32 Å) and four longer (3.39 Å) K–Cl bond lengths. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.21 Å. All Mn–Cl bond lengths are 2.55 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mn2+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-42264

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; K2MnH4(Cl2O)2; Cl-H-K-Mn-O

OSTI Identifier:: 1207979

DOI:: https://doi.org/10.17188/1207979

Citation Formats


                    The Materials Project. Materials Data on K2MnH4(Cl2O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207979.

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                    The Materials Project. Materials Data on K2MnH4(Cl2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207979

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                    The Materials Project. 2020.  
"Materials Data on K2MnH4(Cl2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207979.  https://www.osti.gov/servlets/purl/1207979. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1207979,

  title        = {Materials Data on K2MnH4(Cl2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2MnH4(OCl2)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Cl1- atoms. There are four shorter (3.32 Å) and four longer (3.39 Å) K–Cl bond lengths. Mn2+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Mn–O bond lengths are 2.21 Å. All Mn–Cl bond lengths are 2.55 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mn2+ atom.},

  doi          = {10.17188/1207979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207979

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