Materials Data on Na2TeO5 by Materials Project

doi:10.17188/1709148

Title: Materials Data on Na2TeO5 by Materials Project

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Abstract

Na2TeO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.11 Å) and four longer (2.61 Å) Na–O bond lengths. In the second Na site, Na is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Na–O bond lengths are 2.40 Å. Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with four equivalent ONa2TeO trigonal pyramids. There are one shorter (1.86 Å) and four longer (2.19 Å) Te–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Te atom. In the second O site, O is bonded to two Na, one Te, and one O atom to form distorted ONa2TeO trigonal pyramids that share a cornercorner with one TeO5 square pyramid, corners with five equivalent ONa2TeO trigonal pyramids, and edges with two equivalent ONa2TeO trigonal pyramids. The O–O bond length is 1.50 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1188958

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; Na2TeO5; Na-O-Te

OSTI Identifier:: 1709148

DOI:: https://doi.org/10.17188/1709148

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                    The Materials Project. Materials Data on Na2TeO5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1709148.

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                    The Materials Project. Materials Data on Na2TeO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709148

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                    The Materials Project. 2019.  
"Materials Data on Na2TeO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709148.  https://www.osti.gov/servlets/purl/1709148. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1709148,

  title        = {Materials Data on Na2TeO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2TeO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.11 Å) and four longer (2.61 Å) Na–O bond lengths. In the second Na site, Na is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Na–O bond lengths are 2.40 Å. Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with four equivalent ONa2TeO trigonal pyramids. There are one shorter (1.86 Å) and four longer (2.19 Å) Te–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Te atom. In the second O site, O is bonded to two Na, one Te, and one O atom to form distorted ONa2TeO trigonal pyramids that share a cornercorner with one TeO5 square pyramid, corners with five equivalent ONa2TeO trigonal pyramids, and edges with two equivalent ONa2TeO trigonal pyramids. The O–O bond length is 1.50 Å.},

  doi          = {10.17188/1709148},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1709148

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