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Title: Materials Data on Na2AlH4ClO4 by Materials Project

Abstract

Na2AlH4O4Cl crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form distorted NaCl2O4 octahedra that share corners with two equivalent NaCl2O4 octahedra, corners with four equivalent AlO4 tetrahedra, and edges with four equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. All Na–O bond lengths are 2.43 Å. Both Na–Cl bond lengths are 3.04 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. All Al–O bond lengths are 1.78 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Al3+, and one H1+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Na1+ atoms.

Publication Date:
Other Number(s):
mp-643248
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; Na2AlH4ClO4; Al-Cl-H-Na-O
OSTI Identifier:
1280275
DOI:
10.17188/1280275

Citation Formats

The Materials Project. Materials Data on Na2AlH4ClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280275.
The Materials Project. Materials Data on Na2AlH4ClO4 by Materials Project. United States. doi:10.17188/1280275.
The Materials Project. 2020. "Materials Data on Na2AlH4ClO4 by Materials Project". United States. doi:10.17188/1280275. https://www.osti.gov/servlets/purl/1280275. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280275,
title = {Materials Data on Na2AlH4ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2AlH4O4Cl crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form distorted NaCl2O4 octahedra that share corners with two equivalent NaCl2O4 octahedra, corners with four equivalent AlO4 tetrahedra, and edges with four equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 56°. All Na–O bond lengths are 2.43 Å. Both Na–Cl bond lengths are 3.04 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent NaCl2O4 octahedra. The corner-sharing octahedral tilt angles are 58°. All Al–O bond lengths are 1.78 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Al3+, and one H1+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Na1+ atoms.},
doi = {10.17188/1280275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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