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Title: Materials Data on VH10SeNO9 by Materials Project

Abstract

VH4SeO8NH4H2O crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two ammonium molecules; two water molecules; and one VH4SeO8 sheet oriented in the (0, 0, 1) direction. In the VH4SeO8 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.30 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (0.99 Å) and one longer (1.74 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 1.00 Å. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- ismore » bonded in a water-like geometry to one V5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one V5+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-1201219
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; VH10SeNO9; H-N-O-Se-V
OSTI Identifier:
1738995
DOI:
https://doi.org/10.17188/1738995

Citation Formats

The Materials Project. Materials Data on VH10SeNO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738995.
The Materials Project. Materials Data on VH10SeNO9 by Materials Project. United States. doi:https://doi.org/10.17188/1738995
The Materials Project. 2020. "Materials Data on VH10SeNO9 by Materials Project". United States. doi:https://doi.org/10.17188/1738995. https://www.osti.gov/servlets/purl/1738995. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1738995,
title = {Materials Data on VH10SeNO9 by Materials Project},
author = {The Materials Project},
abstractNote = {VH4SeO8NH4H2O crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two ammonium molecules; two water molecules; and one VH4SeO8 sheet oriented in the (0, 0, 1) direction. In the VH4SeO8 sheet, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.30 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (0.99 Å) and one longer (1.74 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 1.00 Å. In the third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.70 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one V5+ and two H1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one V5+ and two H1+ atoms.},
doi = {10.17188/1738995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}