Materials Data on MgP by Materials Project
MgP crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Mg–P bond distances ranging from 2.60–2.86 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six P2- atoms. There are a spread of Mg–P bond distances ranging from 2.58–2.87 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to six Mg2+ and one P2- atom. The P–P bond length is 2.21 Å. In the second P2- site, P2- is bonded to six Mg2+ atoms to form distorted corner-sharing PMg6 pentagonal pyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1315904
- Report Number(s):
- mp-978292
- Country of Publication:
- United States
- Language:
- English
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