Materials Data on ErMn2 by Materials Project

doi:10.17188/1188435

Title: Materials Data on ErMn2 by Materials Project

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Abstract

ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.07–3.22 Å. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.21 Å) and two longer (3.22 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.53 Å) and four longer (2.54 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-11855

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; ErMn2; Er-Mn

OSTI Identifier:: 1188435

DOI:: https://doi.org/10.17188/1188435

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                    The Materials Project. Materials Data on ErMn2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1188435.

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                    The Materials Project. Materials Data on ErMn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188435

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                    The Materials Project. 2017.  
"Materials Data on ErMn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188435.  https://www.osti.gov/servlets/purl/1188435. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1188435,

  title        = {Materials Data on ErMn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.07–3.22 Å. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.21 Å) and two longer (3.22 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.53 Å) and four longer (2.54 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.68 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are one shorter (2.65 Å) and one longer (2.67 Å) Mn–Mn bond lengths.},

  doi          = {10.17188/1188435},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1188435

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