Materials Data on K2Mn(PS3)2 by Materials Project

doi:10.17188/1266615

Title: Materials Data on K2Mn(PS3)2 by Materials Project

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Abstract

K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.

Publication Date:: 2020-07-20

Other Number(s):: mp-542638

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; K-Mn-P-S; K2Mn(PS3)2; crystal structure

OSTI Identifier:: 1266615

DOI:: https://doi.org/10.17188/1266615

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                    Materials Data on K2Mn(PS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266615.

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                    Materials Data on K2Mn(PS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266615

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                    2020.  
"Materials Data on K2Mn(PS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266615.  https://www.osti.gov/servlets/purl/1266615. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1266615,

  title        = {Materials Data on K2Mn(PS3)2 by Materials Project},

  
  abstractNote = {K2Mn(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.29–3.63 Å. Mn2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Mn–S bond distances ranging from 2.60–2.69 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.03 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Mn2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Mn2+, and one P4+ atom.},

  doi          = {10.17188/1266615},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1266615

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