U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2Si3(NO5)2 by Materials Project
Abstract
Al2Si3O10N2 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of sixteen ammonia molecules and one Al2Si3O10 framework. In the Al2Si3O10 framework, 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 1.73–1.77 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 two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. There are five 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-more »
- Publication Date:
- Other Number(s):
- mp-1196501
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-N-O-Si; Al2Si3(NO5)2; crystal structure
- OSTI Identifier:
- 1756972
- DOI:
- https://doi.org/10.17188/1756972
Citation Formats
Materials Data on Al2Si3(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1756972.
Materials Data on Al2Si3(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1756972
2020.
"Materials Data on Al2Si3(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1756972. https://www.osti.gov/servlets/purl/1756972. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1756972,
title = {Materials Data on Al2Si3(NO5)2 by Materials Project},
abstractNote = {Al2Si3O10N2 is quartz (alpha)-derived structured and crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of sixteen ammonia molecules and one Al2Si3O10 framework. In the Al2Si3O10 framework, 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 1.73–1.77 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 two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with three equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.64 Å. There are five 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 two Si4+ atoms. 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 distorted bent 150 degrees geometry to one Al3+ and one Si4+ atom.},
doi = {10.17188/1756972},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}