Materials Data on Mg2Si by Materials Project

Abstract

Mg2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 2-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.20 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.08 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted L-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.26 Å. In the fourth 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 2.79–3.05 Å. In the fifth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.74–3.14 Å. In the sixth Mg2+ site, Mg2+ is bonded in a water-like geometry to two Si4- atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Mg–Si bond lengths. In the seventh Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.94 Å. In the eighth 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 2.74–3.16 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. There are one shorter (2.43 Å) and one longer (2.50 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to six Mg2+ and two Si4- atoms. The Si–Si bond length is 2.42 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom.