U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca11Ga7 by Materials Project
Abstract
Ca11Ga7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted octahedral geometry to six equivalent Ga atoms. All Ca–Ga bond lengths are 3.53 Å. In the second Ca site, Ca is bonded in a cuboctahedral geometry to twelve equivalent Ca atoms. All Ca–Ca bond lengths are 3.82 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.21 Å) and three longer (3.29 Å) Ca–Ga bond lengths. In the fourth Ca site, Ca is bonded in a distorted square co-planar geometry to one Ca and four Ga atoms. There are two shorter (3.12 Å) and two longer (3.26 Å) Ca–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.
- Publication Date:
- Other Number(s):
- mp-30474
- 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; Ca-Ga; Ca11Ga7; crystal structure
- OSTI Identifier:
- 1204881
- DOI:
- https://doi.org/10.17188/1204881
Citation Formats
Materials Data on Ca11Ga7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204881.
Materials Data on Ca11Ga7 by Materials Project. United States. doi:https://doi.org/10.17188/1204881
2020.
"Materials Data on Ca11Ga7 by Materials Project". United States. doi:https://doi.org/10.17188/1204881. https://www.osti.gov/servlets/purl/1204881. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1204881,
title = {Materials Data on Ca11Ga7 by Materials Project},
abstractNote = {Ca11Ga7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted octahedral geometry to six equivalent Ga atoms. All Ca–Ga bond lengths are 3.53 Å. In the second Ca site, Ca is bonded in a cuboctahedral geometry to twelve equivalent Ca atoms. All Ca–Ca bond lengths are 3.82 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.21 Å) and three longer (3.29 Å) Ca–Ga bond lengths. In the fourth Ca site, Ca is bonded in a distorted square co-planar geometry to one Ca and four Ga atoms. There are two shorter (3.12 Å) and two longer (3.26 Å) Ca–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Ca atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.},
doi = {10.17188/1204881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}