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Materials Data on Mg2Si by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1727469· OSTI ID:1727469
Mg2Si crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.12 Å. In the second Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.75–2.93 Å. In the third Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–2.98 Å. In the fourth Mg2+ site, Mg2+ is bonded in a distorted water-like geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.14 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to nine Mg2+ and one Si4- atom. The Si–Si bond length is 2.47 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom.
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:
1727469
Report Number(s):
mp-1074641
Country of Publication:
United States
Language:
English

References (2)

The crystallographic orientation relationship between Al2O3 and MgAl2O4 in the composite material Al2O3/Al–Mg–Si alloy journal April 2007
Spark plasma sintering and thermoelectric evaluation of nanocrystalline magnesium silicide (Mg2Si) journal October 2012

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Related Subjects

36 MATERIALS SCIENCE
Mg-Si
Mg2Si
crystal structure