Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project

doi:10.17188/1269002

Title: Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project

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Abstract

Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. There are a spread of Sr–Br bond distances ranging from 3.11–3.21 Å. Cu2+ is bonded in a 6-coordinate geometry to five O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. The Cu–Br bond length is 3.02 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, two equivalent Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Cu2+, and one Te6+ atom to form distorted corner-sharing OSrCu2Te trigonal pyramids. Br1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-555814

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; Sr2Cu2Te(BrO3)2; Br-Cu-O-Sr-Te

OSTI Identifier:: 1269002

DOI:: https://doi.org/10.17188/1269002

Citation Formats


                    The Materials Project. Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269002.

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                    The Materials Project. Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269002

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                    The Materials Project. 2020.  
"Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269002.  https://www.osti.gov/servlets/purl/1269002. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1269002,

  title        = {Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. There are a spread of Sr–Br bond distances ranging from 3.11–3.21 Å. Cu2+ is bonded in a 6-coordinate geometry to five O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. The Cu–Br bond length is 3.02 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, two equivalent Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Cu2+, and one Te6+ atom to form distorted corner-sharing OSrCu2Te trigonal pyramids. Br1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Cu2+ atom.},

  doi          = {10.17188/1269002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269002

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