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Title: Materials Data on AlH4(SeO4)2 by Materials Project

Abstract

AlH4(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Al is bonded in an octahedral geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.89–1.96 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.70–1.73 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two H and one Se atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Al and two H atoms. In the third O site, O is bonded in a bent 120 degrees geometry to one Al and one Se atom. In the fourth O site, O ismore » bonded in a bent 120 degrees geometry to one Al and one Se atom.« less

Authors:
Publication Date:
Other Number(s):
mp-699431
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; AlH4(SeO4)2; Al-H-O-Se
OSTI Identifier:
1285499
DOI:
https://doi.org/10.17188/1285499

Citation Formats

The Materials Project. Materials Data on AlH4(SeO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285499.
The Materials Project. Materials Data on AlH4(SeO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285499
The Materials Project. 2020. "Materials Data on AlH4(SeO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285499. https://www.osti.gov/servlets/purl/1285499. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1285499,
title = {Materials Data on AlH4(SeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AlH4(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Al is bonded in an octahedral geometry to six O atoms. There are a spread of Al–O bond distances ranging from 1.89–1.96 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.74 Å) H–O bond length. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.70–1.73 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two H and one Se atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Al and two H atoms. In the third O site, O is bonded in a bent 120 degrees geometry to one Al and one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Al and one Se atom.},
doi = {10.17188/1285499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}