U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrSiO by Materials Project
Abstract
ZrSiO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to four equivalent Si and five equivalent O atoms. All Zr–Si bond lengths are 2.81 Å. There are one shorter (2.23 Å) and four longer (2.42 Å) Zr–O bond lengths. Si is bonded to four equivalent Zr and four equivalent Si atoms to form distorted SiZr4Si4 hexagonal bipyramids that share corners with four equivalent SiZr4Si4 hexagonal bipyramids, corners with twelve equivalent OZr5 trigonal bipyramids, edges with four equivalent SiZr4Si4 hexagonal bipyramids, edges with four equivalent OZr5 trigonal bipyramids, and faces with four equivalent SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.35 Å. O is bonded to five equivalent Zr atoms to form distorted OZr5 trigonal bipyramids that share corners with twelve equivalent SiZr4Si4 hexagonal bipyramids, corners with four equivalent OZr5 trigonal bipyramids, edges with four equivalent SiZr4Si4 hexagonal bipyramids, and edges with eight equivalent OZr5 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-7915
- 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; O-Si-Zr; ZrSiO; crystal structure
- OSTI Identifier:
- 1307819
- DOI:
- https://doi.org/10.17188/1307819
Citation Formats
Materials Data on ZrSiO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307819.
Materials Data on ZrSiO by Materials Project. United States. doi:https://doi.org/10.17188/1307819
2020.
"Materials Data on ZrSiO by Materials Project". United States. doi:https://doi.org/10.17188/1307819. https://www.osti.gov/servlets/purl/1307819. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1307819,
title = {Materials Data on ZrSiO by Materials Project},
abstractNote = {ZrSiO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to four equivalent Si and five equivalent O atoms. All Zr–Si bond lengths are 2.81 Å. There are one shorter (2.23 Å) and four longer (2.42 Å) Zr–O bond lengths. Si is bonded to four equivalent Zr and four equivalent Si atoms to form distorted SiZr4Si4 hexagonal bipyramids that share corners with four equivalent SiZr4Si4 hexagonal bipyramids, corners with twelve equivalent OZr5 trigonal bipyramids, edges with four equivalent SiZr4Si4 hexagonal bipyramids, edges with four equivalent OZr5 trigonal bipyramids, and faces with four equivalent SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.35 Å. O is bonded to five equivalent Zr atoms to form distorted OZr5 trigonal bipyramids that share corners with twelve equivalent SiZr4Si4 hexagonal bipyramids, corners with four equivalent OZr5 trigonal bipyramids, edges with four equivalent SiZr4Si4 hexagonal bipyramids, and edges with eight equivalent OZr5 trigonal bipyramids.},
doi = {10.17188/1307819},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}