U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca4Al6WO16 by Materials Project
Abstract
Ca4Al6WO16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca2+ is bonded to four O2- atoms to form CaO4 trigonal pyramids that share a cornercorner with one WO4 tetrahedra and corners with six equivalent AlO4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.34 Å) Ca–O bond lengths. W6+ is bonded to four equivalent O2- atoms to form WO4 tetrahedra that share corners with four equivalent CaO4 trigonal pyramids. All W–O bond lengths are 1.81 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with four equivalent CaO4 trigonal pyramids. All Al–O bond lengths are 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ca2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-19145
- 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-Ca-O-W; Ca4Al6WO16; crystal structure
- OSTI Identifier:
- 1193969
- DOI:
- https://doi.org/10.17188/1193969
Citation Formats
Materials Data on Ca4Al6WO16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193969.
Materials Data on Ca4Al6WO16 by Materials Project. United States. doi:https://doi.org/10.17188/1193969
2020.
"Materials Data on Ca4Al6WO16 by Materials Project". United States. doi:https://doi.org/10.17188/1193969. https://www.osti.gov/servlets/purl/1193969. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1193969,
title = {Materials Data on Ca4Al6WO16 by Materials Project},
abstractNote = {Ca4Al6WO16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ca2+ is bonded to four O2- atoms to form CaO4 trigonal pyramids that share a cornercorner with one WO4 tetrahedra and corners with six equivalent AlO4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.34 Å) Ca–O bond lengths. W6+ is bonded to four equivalent O2- atoms to form WO4 tetrahedra that share corners with four equivalent CaO4 trigonal pyramids. All W–O bond lengths are 1.81 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with four equivalent CaO4 trigonal pyramids. All Al–O bond lengths are 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Ca2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Al3+ atoms.},
doi = {10.17188/1193969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}