Materials Data on Mn5Si2 by Materials Project

Abstract

Mn5Si2 is beta Plutonium-derived structured and crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are six inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four Mn and four Si atoms. There are two shorter (2.47 Å) and two longer (2.76 Å) Mn–Mn bond lengths. There are two shorter (2.38 Å) and two longer (2.42 Å) Mn–Si bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Mn and four Si atoms. There are a spread of Mn–Mn bond distances ranging from 2.52–2.76 Å. There are two shorter (2.50 Å) and two longer (2.61 Å) Mn–Si bond lengths. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Mn and five Si atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.73 Å. There are a spread of Mn–Si bond distances ranging from 2.52–2.84 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to nine Mn and three Si atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.61 Å. There are a spread of Mn–Si bond distances ranging from 2.29–2.41 Å. In the fifth Mn site, Mn is bonded in a 4-coordinate geometry to two Mn and five Si atoms. There are a spread of Mn–Si bond distances ranging from 2.34–2.70 Å. In the sixth Mn site, Mn is bonded in a 4-coordinate geometry to one Mn and four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.33–2.61 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Mn atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eleven Mn and one Si atom. The Si–Si bond length is 2.61 Å.