Materials Data on Pr2Te5 by Materials Project

doi:10.17188/1662549

Title: Materials Data on Pr2Te5 by Materials Project

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Abstract

Pr2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Pr2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. In the second Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.40 Å. There are five inequivalent Te+1.60- sites. In the first Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the second Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. In the third Te+1.60- site, Te+1.60- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the fourth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms. In the fifth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to fivemore » Pr4+ atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1104180

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; Pr2Te5; Pr-Te

OSTI Identifier:: 1662549

DOI:: https://doi.org/10.17188/1662549

Citation Formats


                    The Materials Project. Materials Data on Pr2Te5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662549.

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                    The Materials Project. Materials Data on Pr2Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662549

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                    The Materials Project. 2020.  
"Materials Data on Pr2Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662549.  https://www.osti.gov/servlets/purl/1662549. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1662549,

  title        = {Materials Data on Pr2Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Pr2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Pr4+ sites. In the first Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.31–3.38 Å. In the second Pr4+ site, Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.60- atoms. There are a spread of Pr–Te bond distances ranging from 3.29–3.40 Å. There are five inequivalent Te+1.60- sites. In the first Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the second Te+1.60- site, Te+1.60- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.60- atoms. In the third Te+1.60- site, Te+1.60- is bonded in a 8-coordinate geometry to four equivalent Pr4+ and four equivalent Te+1.60- atoms. All Te–Te bond lengths are 3.16 Å. In the fourth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms. In the fifth Te+1.60- site, Te+1.60- is bonded in a 5-coordinate geometry to five Pr4+ atoms.},

  doi          = {10.17188/1662549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662549

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