Materials Data on KSm2Cl5 by Materials Project

doi:10.17188/1274218

Title: Materials Data on KSm2Cl5 by Materials Project

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Abstract

KSm2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 2.98–3.83 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.82–3.12 Å. In the second Sm2+ site, Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.76–3.54 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent K1+ and two equivalent Sm2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and three Sm2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-568044

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; KSm2Cl5; Cl-K-Sm

OSTI Identifier:: 1274218

DOI:: https://doi.org/10.17188/1274218

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                    The Materials Project. Materials Data on KSm2Cl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274218.

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                    The Materials Project. Materials Data on KSm2Cl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274218

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                    The Materials Project. 2020.  
"Materials Data on KSm2Cl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274218.  https://www.osti.gov/servlets/purl/1274218. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1274218,

  title        = {Materials Data on KSm2Cl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSm2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 2.98–3.83 Å. There are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.82–3.12 Å. In the second Sm2+ site, Sm2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.76–3.54 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent K1+ and two equivalent Sm2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Sm2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Sm2+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and three Sm2+ atoms.},

  doi          = {10.17188/1274218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1274218

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