Materials Data on Bi(SO4)2 by Materials Project

doi:10.17188/1729639

Title: Materials Data on Bi(SO4)2 by Materials Project

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Abstract

Bi(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.31–2.38 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Bi and one S atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Bi and one S atom. In the third O site, O is bonded in a distorted bent 150 degreesmore »« less

Publication Date:: 2020-04-30

Other Number(s):: mp-1178522

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Bi(SO4)2; Bi-O-S; crystal structure

OSTI Identifier:: 1729639

DOI:: https://doi.org/10.17188/1729639

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                    Materials Data on Bi(SO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729639.

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                    Materials Data on Bi(SO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729639

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                    2020.  
"Materials Data on Bi(SO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729639.  https://www.osti.gov/servlets/purl/1729639. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1729639,

  title        = {Materials Data on Bi(SO4)2 by Materials Project},

  
  abstractNote = {Bi(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.31–2.38 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–50°. There are a spread of S–O bond distances ranging from 1.44–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Bi and one S atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Bi and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Bi and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Bi and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Bi and one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Bi and one S atom.},

  doi          = {10.17188/1729639},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1729639

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