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 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.66–3.01 Å. In the second 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 2.88–3.18 Å. In the third 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 2.76–2.96 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.87–3.11 Å. In the fifth 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 2.80–3.09 Å. In the sixth 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 2.76–3.12 Å. 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 2.70–2.77 Å. In the eighth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.00 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to five Mg2+ and two Si4- atoms. There are one shorter (2.47 Å) and one longer (2.52 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom. 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 7-coordinate geometry to seven Mg2+ atoms.