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 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.79–2.99 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 2.73–3.03 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted T-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.89–2.98 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.14 Å. In the fifth 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 2.80–3.31 Å. In the sixth 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 2.76–2.95 Å. In the seventh Mg2+ site, Mg2+ is bonded in a distorted water-like geometry to two Si4- atoms. There are one shorter (2.73 Å) and one longer (2.79 Å) Mg–Si bond lengths. 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 2.72–3.06 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six Mg2+ and two Si4- atoms. There are one shorter (2.54 Å) and one longer (2.60 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. The Si–Si bond length is 2.64 Å. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to eight Mg2+ and two Si4- atoms. The Si–Si bond length is 2.87 Å. In the fourth Si4- site, Si4- is bonded in a 5-coordinate geometry to five Mg2+ and two Si4- atoms.