Mn4Fe2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Fe(1), and one Fe(2) atom.
Mn4Fe2P3 crystallizes in the monoclinic Pm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Mn(1)-P(3) bond length is 2.46 Å. Both Mn(1)-P(1) bond lengths are 2.47 Å. Both Mn(1)-P(2) bond lengths are 2.46 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. Both Mn(2)-Fe(1) bond lengths are 2.64 Å. Both Mn(2)-Fe(2) bond lengths are 2.68 Å. The Mn(2)-P(1) bond length is 2.32 Å. The Mn(2)-P(2) bond length is 2.30 Å. Both Mn(2)-P(3) bond lengths are 2.28 Å. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. Both Mn(3)-Fe(1) bond lengths are 2.69 Å. Both Mn(3)-Fe(2) bond lengths are 2.63 Å. The Mn(3)-P(1) bond length is 2.30 Å. The Mn(3)-P(2) bond length is 2.31 Å. Both Mn(3)-P(3) bond lengths are 2.28 Å. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), one P(1), one P(2), and two equivalent P(3) atoms. Both Mn(4)-Fe(1) bond lengths are 2.70 Å. Both Mn(4)-Fe(2) bond lengths are 2.70 Å. The Mn(4)-P(1) bond length is 2.30 Å. The Mn(4)-P(2) bond length is 2.31 Å. Both Mn(4)-P(3) bond lengths are 2.26 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Fe(1)-P(3) bond length is 2.45 Å. Both Fe(1)-P(1) bond lengths are 2.47 Å. Both Fe(1)-P(2) bond lengths are 2.50 Å. In the second Fe site, Fe(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one P(3), two equivalent P(1), and two equivalent P(2) atoms. The Fe(2)-P(3) bond length is 2.45 Å. Both Fe(2)-P(1) bond lengths are 2.50 Å. Both Fe(2)-P(2) bond lengths are 2.48 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), two equivalent Mn(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Fe(1), and one Fe(2) atom.