Materials Data on NdAs2 by Materials Project

doi:10.17188/1189842

Title: Materials Data on NdAs2 by Materials Project

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Abstract

NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-13961

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; NdAs2; As-Nd

OSTI Identifier:: 1189842

DOI:: https://doi.org/10.17188/1189842

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                    The Materials Project. Materials Data on NdAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189842.

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                    The Materials Project. Materials Data on NdAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189842

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                    The Materials Project. 2020.  
"Materials Data on NdAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189842.  https://www.osti.gov/servlets/purl/1189842. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189842,

  title        = {Materials Data on NdAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.},

  doi          = {10.17188/1189842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1189842

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