Materials Data on Y4CuTe8 by Materials Project

doi:10.17188/1282549

Title: Materials Data on Y4CuTe8 by Materials Project

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Abstract

Y4CuTe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.32 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.33 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.05–3.36 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.04–3.37 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.06–3.27 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.27 Å. In the seventh Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eightmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-675009

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; Y4CuTe8; Cu-Te-Y

OSTI Identifier:: 1282549

DOI:: https://doi.org/10.17188/1282549

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                    The Materials Project. Materials Data on Y4CuTe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282549.

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                    The Materials Project. Materials Data on Y4CuTe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282549

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                    The Materials Project. 2020.  
"Materials Data on Y4CuTe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282549.  https://www.osti.gov/servlets/purl/1282549. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1282549,

  title        = {Materials Data on Y4CuTe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y4CuTe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.32 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.02–3.33 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.05–3.36 Å. In the fourth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.04–3.37 Å. In the fifth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.06–3.27 Å. In the sixth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.27 Å. In the seventh Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.29 Å. In the eighth Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are a spread of Y–Te bond distances ranging from 3.07–3.27 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four Te+1.75- atoms. There are a spread of Cu–Te bond distances ranging from 2.61–2.76 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Te+1.75- atoms. There are a spread of Cu–Te bond distances ranging from 2.61–2.73 Å. There are sixteen inequivalent Te+1.75- sites. In the first Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ and two equivalent Te+1.75- atoms. There are one shorter (3.05 Å) and one longer (3.06 Å) Te–Te bond lengths. In the second Te+1.75- site, Te+1.75- is bonded in a 7-coordinate geometry to four Y3+, one Cu2+, and two equivalent Te+1.75- atoms. Both Te–Te bond lengths are 3.05 Å. In the third Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fourth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the fifth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the sixth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the seventh Te+1.75- site, Te+1.75- is bonded in a 1-coordinate geometry to four Y3+, one Cu2+, and two equivalent Te+1.75- atoms. In the eighth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the ninth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ and two equivalent Te+1.75- atoms. In the tenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the eleventh Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the twelfth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the thirteenth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the fourteenth Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to four Y3+ and one Cu2+ atom. In the fifteenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the sixteenth Te+1.75- site, Te+1.75- is bonded in a 4-coordinate geometry to four Y3+ atoms.},

  doi          = {10.17188/1282549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282549

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