U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2Si2H8N2O9 by Materials Project
Abstract
(AlSiO4)4(NH4)4O2 is quartz (alpha)-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of eight ammonium molecules, four water molecules, and one AlSiO4 framework. In the AlSiO4 framework, there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199231
- 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; Al2Si2H8N2O9; Al-H-N-O-Si
- OSTI Identifier:
- 1684492
- DOI:
- https://doi.org/10.17188/1684492
Citation Formats
The Materials Project. Materials Data on Al2Si2H8N2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684492.
The Materials Project. Materials Data on Al2Si2H8N2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1684492
The Materials Project. 2020.
"Materials Data on Al2Si2H8N2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1684492. https://www.osti.gov/servlets/purl/1684492. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684492,
title = {Materials Data on Al2Si2H8N2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {(AlSiO4)4(NH4)4O2 is quartz (alpha)-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of eight ammonium molecules, four water molecules, and one AlSiO4 framework. In the AlSiO4 framework, there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Si4+ atom.},
doi = {10.17188/1684492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}