Materials Data on MgH2 by Materials Project
MgH2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is two shorter (1.95 Å) and four longer (1.96 Å) Mg–H bond length. H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1199678
- Report Number(s):
- mp-23710
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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