ReMn2FeO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. In the second Re site, Re(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Re(1), one Mn(1), one Mn(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Re(2), one Mn(1), one Mn(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Re(2), one Mn(2), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), two equivalent Mn(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Re(2), one Mn(1), one Mn(2), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Re(1), one Mn(1), one Mn(2), and one Fe(1) atom.
ReMn2FeO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Both Re(1)-O(1) bond lengths are 1.92 Å. Both Re(1)-O(4) bond lengths are 1.96 Å. Both Re(1)-O(6) bond lengths are 1.96 Å. In the second Re site, Re(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Both Re(2)-O(2) bond lengths are 1.93 Å. Both Re(2)-O(3) bond lengths are 1.96 Å. Both Re(2)-O(5) bond lengths are 1.96 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. The Mn(1)-O(1) bond length is 2.16 Å. The Mn(1)-O(2) bond length is 2.49 Å. The Mn(1)-O(4) bond length is 2.69 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(6) bond length is 2.20 Å. There is one shorter (2.16 Å) and one longer (2.64 Å) Mn(1)-O(3) bond length. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. The Mn(2)-O(1) bond length is 2.53 Å. The Mn(2)-O(2) bond length is 2.14 Å. The Mn(2)-O(3) bond length is 2.66 Å. The Mn(2)-O(5) bond length is 2.19 Å. The Mn(2)-O(6) bond length is 2.14 Å. There is one shorter (2.17 Å) and one longer (2.69 Å) Mn(2)-O(4) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Both Fe(1)-O(2) bond lengths are 2.18 Å. Both Fe(1)-O(3) bond lengths are 2.04 Å. Both Fe(1)-O(6) bond lengths are 2.27 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Both Fe(2)-O(1) bond lengths are 2.19 Å. Both Fe(2)-O(4) bond lengths are 2.05 Å. Both Fe(2)-O(5) bond lengths are 2.26 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Re(1), one Mn(1), one Mn(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Re(2), one Mn(1), one Mn(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Re(2), one Mn(2), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), two equivalent Mn(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Re(2), one Mn(1), one Mn(2), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Re(1), one Mn(1), one Mn(2), and one Fe(1) atom.