Materials Data on Tb5Te9 by Materials Project

doi:10.17188/1689630

Title: Materials Data on Tb5Te9 by Materials Project

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Abstract

Tb5Te9 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are twelve inequivalent Tb+3.60+ sites. In the first Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.16–3.36 Å. In the second Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.28 Å. In the third Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.13–3.30 Å. In the fourth Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.32 Å. In the fifth Tb+3.60+ site, Tb+3.60+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.22–3.32 Å. In the sixth Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.32 Å. In the seventh Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eightmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1217665

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; Tb5Te9; Tb-Te

OSTI Identifier:: 1689630

DOI:: https://doi.org/10.17188/1689630

Citation Formats


                    The Materials Project. Materials Data on Tb5Te9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689630.

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                    The Materials Project. Materials Data on Tb5Te9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689630

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                    The Materials Project. 2020.  
"Materials Data on Tb5Te9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689630.  https://www.osti.gov/servlets/purl/1689630. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1689630,

  title        = {Materials Data on Tb5Te9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb5Te9 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are twelve inequivalent Tb+3.60+ sites. In the first Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.16–3.36 Å. In the second Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.28 Å. In the third Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.13–3.30 Å. In the fourth Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.32 Å. In the fifth Tb+3.60+ site, Tb+3.60+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.22–3.32 Å. In the sixth Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.32 Å. In the seventh Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.13–3.30 Å. In the eighth Tb+3.60+ site, Tb+3.60+ is bonded in a distorted pentagonal bipyramidal geometry to seven Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.13–3.17 Å. In the ninth Tb+3.60+ site, Tb+3.60+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.22–3.32 Å. In the tenth Tb+3.60+ site, Tb+3.60+ is bonded in a distorted pentagonal bipyramidal geometry to seven Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.13–3.17 Å. In the eleventh Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.14–3.29 Å. In the twelfth Tb+3.60+ site, Tb+3.60+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Tb–Te bond distances ranging from 3.16–3.36 Å. There are twenty-two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Tb+3.60+ and one Te2- atom. The Te–Te bond length is 3.04 Å. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Tb+3.60+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Tb+3.60+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four Tb+3.60+ and two equivalent Te2- atoms. In the fifth Te2- site, Te2- is bonded to five Tb+3.60+ atoms to form a mixture of distorted corner and edge-sharing TeTb5 trigonal bipyramids. In the sixth Te2- site, Te2- is bonded in a 6-coordinate geometry to four Tb+3.60+ atoms. In the seventh Te2- site, Te2- is bonded in a 6-coordinate geometry to four Tb+3.60+ and two equivalent Te2- atoms. Both Te–Te bond lengths are 3.04 Å. In the eighth Te2- site, Te2- is bonded to five Tb+3.60+ atoms to form a mixture of distorted corner and edge-sharing TeTb5 trigonal bipyramids. In the ninth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the tenth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the eleventh Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the twelfth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the thirteenth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the fourteenth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the fifteenth Te2- site, Te2- is bonded to five Tb+3.60+ atoms to form a mixture of distorted corner and edge-sharing TeTb5 trigonal bipyramids. In the sixteenth Te2- site, Te2- is bonded to five Tb+3.60+ atoms to form a mixture of distorted corner and edge-sharing TeTb5 trigonal bipyramids. In the seventeenth Te2- site, Te2- is bonded in a 5-coordinate geometry to five Tb+3.60+ atoms. In the eighteenth Te2- site, Te2- is bonded to five Tb+3.60+ atoms to form a mixture of distorted corner and edge-sharing TeTb5 trigonal bipyramids. In the nineteenth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Tb+3.60+ and one Te2- atom. In the twentieth Te2- site, Te2- is bonded in a 4-coordinate geometry to four Tb+3.60+ atoms. In the twenty-first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Tb+3.60+ atoms. In the twenty-second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Tb+3.60+ atoms.},

  doi          = {10.17188/1689630},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1689630

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