Materials Data on Mn2FeCoP2 by Materials Project
Mn2FeCoP2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.40–2.51 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Fe, four equivalent Co, and five P atoms. There are one shorter (2.70 Å) and one longer (2.71 Å) Mn–Fe bond lengths. There are two shorter (2.66 Å) and two longer (2.68 Å) Mn–Co bond lengths. There are a spread of Mn–P bond distances ranging from 2.42–2.52 Å. Fe is bonded to two equivalent Mn and four P atoms to form distorted corner-sharing FeMn2P4 tetrahedra. There are three shorter (2.20 Å) and one longer (2.23 Å) Fe–P bond lengths. Co is bonded in a 4-coordinate geometry to four equivalent Mn and four P atoms. There are a spread of Co–P bond distances ranging from 2.19–2.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms.