Materials Data on KNd3Te8 by Materials Project

doi:10.17188/1281593

Title: Materials Data on KNd3Te8 by Materials Project

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Abstract

KNd3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.95 Å. There are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.34 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.44 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.22–3.33 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.30 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fourth Te+1.25-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-669359

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; KNd3Te8; K-Nd-Te

OSTI Identifier:: 1281593

DOI:: https://doi.org/10.17188/1281593

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                    The Materials Project. Materials Data on KNd3Te8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281593.

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                    The Materials Project. Materials Data on KNd3Te8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281593

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                    The Materials Project. 2020.  
"Materials Data on KNd3Te8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281593.  https://www.osti.gov/servlets/purl/1281593. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1281593,

  title        = {Materials Data on KNd3Te8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNd3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.95 Å. There are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.34 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.44 Å. In the third Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Nd–Te bond distances ranging from 3.22–3.33 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.02–3.30 Å. In the second Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fourth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the fifth Te+1.25- site, Te+1.25- is bonded in a 6-coordinate geometry to two equivalent K1+, two Nd3+, and two equivalent Te+1.25- atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one K1+, two equivalent Nd3+, and four Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 2.91–3.41 Å. In the seventh Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent K1+, two Nd3+, and three Te+1.25- atoms.},

  doi          = {10.17188/1281593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281593

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