Materials Data on SbPO6 by Materials Project

doi:10.17188/1717213

Title: Materials Data on SbPO6 by Materials Project

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Abstract

SbPO6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbPO6 sheet oriented in the (0, 0, 1) direction. Sb is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.43 Å. P is bonded in a distorted trigonal planar geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–2.38 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Sb and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent Sb atoms. In the sixth O site, O is bonded in a single-bond geometry to onemore » O atom.« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1204861

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; SbPO6; O-P-Sb

OSTI Identifier:: 1717213

DOI:: https://doi.org/10.17188/1717213

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                    The Materials Project. Materials Data on SbPO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1717213.

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                    The Materials Project. Materials Data on SbPO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717213

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                    The Materials Project. 2019.  
"Materials Data on SbPO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717213.  https://www.osti.gov/servlets/purl/1717213. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1717213,

  title        = {Materials Data on SbPO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbPO6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbPO6 sheet oriented in the (0, 0, 1) direction. Sb is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.43 Å. P is bonded in a distorted trigonal planar geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–2.38 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Sb and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one P atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent Sb atoms. In the sixth O site, O is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1717213},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1717213

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