U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrCrMo by Materials Project
Abstract
CrMoZr crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, six equivalent Mo, and six equivalent Cr atoms. There are two shorter (3.20 Å) and two longer (3.22 Å) Zr–Zr bond lengths. There are four shorter (3.05 Å) and two longer (3.08 Å) Zr–Mo bond lengths. There are two shorter (3.04 Å) and four longer (3.10 Å) Zr–Cr bond lengths. Mo is bonded to six equivalent Zr, two equivalent Mo, and four equivalent Cr atoms to form distorted MoZr6Cr4Mo2 cuboctahedra that share corners with eight equivalent CrZr6Cr2Mo4 cuboctahedra, corners with ten equivalent MoZr6Cr4Mo2 cuboctahedra, edges with six equivalent MoZr6Cr4Mo2 cuboctahedra, faces with six equivalent MoZr6Cr4Mo2 cuboctahedra, and faces with twelve equivalent CrZr6Cr2Mo4 cuboctahedra. Both Mo–Mo bond lengths are 2.66 Å. All Mo–Cr bond lengths are 2.62 Å. Cr is bonded to six equivalent Zr, four equivalent Mo, and two equivalent Cr atoms to form distorted CrZr6Cr2Mo4 cuboctahedra that share corners with eight equivalent MoZr6Cr4Mo2 cuboctahedra, corners with ten equivalent CrZr6Cr2Mo4 cuboctahedra, edges with six equivalent CrZr6Cr2Mo4 cuboctahedra, faces with six equivalent CrZr6Cr2Mo4 cuboctahedra, and faces with twelve equivalent MoZr6Cr4Mo2 cuboctahedra. Both Cr–Cr bond lengths are 2.59 Å.
- Publication Date:
- Other Number(s):
- mp-1215269
- 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; Cr-Mo-Zr; ZrCrMo; crystal structure
- OSTI Identifier:
- 1739253
- DOI:
- https://doi.org/10.17188/1739253
Citation Formats
Materials Data on ZrCrMo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739253.
Materials Data on ZrCrMo by Materials Project. United States. doi:https://doi.org/10.17188/1739253
2020.
"Materials Data on ZrCrMo by Materials Project". United States. doi:https://doi.org/10.17188/1739253. https://www.osti.gov/servlets/purl/1739253. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1739253,
title = {Materials Data on ZrCrMo by Materials Project},
abstractNote = {CrMoZr crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, six equivalent Mo, and six equivalent Cr atoms. There are two shorter (3.20 Å) and two longer (3.22 Å) Zr–Zr bond lengths. There are four shorter (3.05 Å) and two longer (3.08 Å) Zr–Mo bond lengths. There are two shorter (3.04 Å) and four longer (3.10 Å) Zr–Cr bond lengths. Mo is bonded to six equivalent Zr, two equivalent Mo, and four equivalent Cr atoms to form distorted MoZr6Cr4Mo2 cuboctahedra that share corners with eight equivalent CrZr6Cr2Mo4 cuboctahedra, corners with ten equivalent MoZr6Cr4Mo2 cuboctahedra, edges with six equivalent MoZr6Cr4Mo2 cuboctahedra, faces with six equivalent MoZr6Cr4Mo2 cuboctahedra, and faces with twelve equivalent CrZr6Cr2Mo4 cuboctahedra. Both Mo–Mo bond lengths are 2.66 Å. All Mo–Cr bond lengths are 2.62 Å. Cr is bonded to six equivalent Zr, four equivalent Mo, and two equivalent Cr atoms to form distorted CrZr6Cr2Mo4 cuboctahedra that share corners with eight equivalent MoZr6Cr4Mo2 cuboctahedra, corners with ten equivalent CrZr6Cr2Mo4 cuboctahedra, edges with six equivalent CrZr6Cr2Mo4 cuboctahedra, faces with six equivalent CrZr6Cr2Mo4 cuboctahedra, and faces with twelve equivalent MoZr6Cr4Mo2 cuboctahedra. Both Cr–Cr bond lengths are 2.59 Å.},
doi = {10.17188/1739253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}