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Title: Materials Data on AgMoAsO6 by Materials Project

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 » 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.« less

Publication Date:
Other Number(s):
mp-1229143
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AgMoAsO6; Ag-As-Mo-O
OSTI Identifier:
1744408
DOI:
https://doi.org/10.17188/1744408

Citation Formats

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