Materials Data on PrMn5Co7 by Materials Project

doi:10.17188/1729679

Title: Materials Data on PrMn5Co7 by Materials Project

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Abstract

PrMn5Co7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to ten Mn and ten Co atoms. There are a spread of Pr–Mn bond distances ranging from 3.02–3.21 Å. There are a spread of Pr–Co bond distances ranging from 2.98–3.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Pr, three Mn, and seven Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.27–2.42 Å. There are a spread of Mn–Co bond distances ranging from 2.39–2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Pr, four equivalent Mn, and six Co atoms. There are a spread of Mn–Co bond distances ranging from 2.53–2.76 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Pr, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.85 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Pr, six Mn, and seven Co atoms. There aremore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1219809

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; PrMn5Co7; Co-Mn-Pr

OSTI Identifier:: 1729679

DOI:: https://doi.org/10.17188/1729679

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                    The Materials Project. Materials Data on PrMn5Co7 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729679.

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                    The Materials Project. Materials Data on PrMn5Co7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729679

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                    The Materials Project. 2019.  
"Materials Data on PrMn5Co7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729679.  https://www.osti.gov/servlets/purl/1729679. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1729679,

  title        = {Materials Data on PrMn5Co7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrMn5Co7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to ten Mn and ten Co atoms. There are a spread of Pr–Mn bond distances ranging from 3.02–3.21 Å. There are a spread of Pr–Co bond distances ranging from 2.98–3.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Pr, three Mn, and seven Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.27–2.42 Å. There are a spread of Mn–Co bond distances ranging from 2.39–2.58 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Pr, four equivalent Mn, and six Co atoms. There are a spread of Mn–Co bond distances ranging from 2.53–2.76 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to one Pr, four equivalent Mn, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.85 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to one Pr, six Mn, and seven Co atoms. There are two shorter (2.54 Å) and four longer (2.83 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to one Pr, five Mn, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.58 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, four equivalent Mn, and six Co atoms. Both Co–Co bond lengths are 2.77 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, five Mn, and five Co atoms.},

  doi          = {10.17188/1729679},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1729679

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