Materials Data on Mn4Fe2P3 by Materials Project
Mn4Fe2P3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.46 Å) and two longer (2.47 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.64 Å) and two longer (2.68 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.32 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.63 Å) and two longer (2.69 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.31 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. All Mn–Fe bond lengths are 2.70 Å. There are a spread of Mn–P bond distances ranging from 2.26–2.31 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to seven Mn and two Fe atoms.