Materials Data on AgMoAsO6 by Materials Project

doi:10.17188/1744408

Title: Materials Data on AgMoAsO6 by Materials Project

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Abstract

MoAgAsO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.21 Å. Ag1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–3.22 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+, two equivalent Ag1+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+, one Ag1+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1229143

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; AgMoAsO6; Ag-As-Mo-O

OSTI Identifier:: 1744408

DOI:: https://doi.org/10.17188/1744408

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                    The Materials Project. Materials Data on AgMoAsO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744408.

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                    The Materials Project. Materials Data on AgMoAsO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744408

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                    The Materials Project. 2020.  
"Materials Data on AgMoAsO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744408.  https://www.osti.gov/servlets/purl/1744408. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1744408,

  title        = {Materials Data on AgMoAsO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoAgAsO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.21 Å. Ag1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–3.22 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+, two equivalent Ag1+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+, one Ag1+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+, two equivalent Ag1+, and one As5+ atom.},

  doi          = {10.17188/1744408},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744408

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