U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2MgH4 by Materials Project
Abstract
Cs2MgH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine H1- atoms. There are eight shorter (3.06 Å) and one longer (3.36 Å) Cs–H bond lengths. Mg2+ is bonded to six H1- atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.96 Å) and four longer (2.16 Å) Mg–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Mg2+ atom. In the second H1- site, H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Mg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-23752
- 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; Cs-H-Mg; Cs2MgH4; crystal structure
- OSTI Identifier:
- 1199708
- DOI:
- https://doi.org/10.17188/1199708
Citation Formats
Materials Data on Cs2MgH4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199708.
Materials Data on Cs2MgH4 by Materials Project. United States. doi:https://doi.org/10.17188/1199708
2020.
"Materials Data on Cs2MgH4 by Materials Project". United States. doi:https://doi.org/10.17188/1199708. https://www.osti.gov/servlets/purl/1199708. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1199708,
title = {Materials Data on Cs2MgH4 by Materials Project},
abstractNote = {Cs2MgH4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine H1- atoms. There are eight shorter (3.06 Å) and one longer (3.36 Å) Cs–H bond lengths. Mg2+ is bonded to six H1- atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.96 Å) and four longer (2.16 Å) Mg–H bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Mg2+ atom. In the second H1- site, H1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Mg2+ atoms.},
doi = {10.17188/1199708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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