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Title: Materials Data on Ag(H7O4)2 by Materials Project

Abstract

AgH12O7H2O crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four water molecules and two AgH12O7 ribbons oriented in the (1, 0, 0) direction. In each AgH12O7 ribbon, Ag2+ is bonded to six O2- atoms to form distorted edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.13–2.63 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.47 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.55 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ ismore » bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the twelfth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Ag2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ag2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and three H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms.« less

Publication Date:
Other Number(s):
mp-777775
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; Ag(H7O4)2; Ag-H-O
OSTI Identifier:
1305294
DOI:
10.17188/1305294

Citation Formats

The Materials Project. Materials Data on Ag(H7O4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305294.
The Materials Project. Materials Data on Ag(H7O4)2 by Materials Project. United States. doi:10.17188/1305294.
The Materials Project. 2020. "Materials Data on Ag(H7O4)2 by Materials Project". United States. doi:10.17188/1305294. https://www.osti.gov/servlets/purl/1305294. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1305294,
title = {Materials Data on Ag(H7O4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgH12O7H2O crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four water molecules and two AgH12O7 ribbons oriented in the (1, 0, 0) direction. In each AgH12O7 ribbon, Ag2+ is bonded to six O2- atoms to form distorted edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.13–2.63 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.47 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.55 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the twelfth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.57 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Ag2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ag2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ag2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ag2+ and three H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms.},
doi = {10.17188/1305294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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