Re3MnB2 is Khatyrkite-derived structured and crystallizes in the orthorhombic F222 space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one Re(1), two equivalent Mn(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to six Mn(1,1); two equivalent B(1); and two equivalent B(2) atoms. In the third Re site, Re(3) is bonded in a 4-coordinate geometry to two Mn(1,1); two equivalent B(1); and two equivalent B(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. In the third Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Re(2), two equivalent Re(3), two equivalent Mn(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Re(2), two equivalent Re(3), two equivalent Mn(1), and two equivalent B(1) atoms.
Re3MnB2 is Khatyrkite-derived structured and crystallizes in the orthorhombic F222 space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to one Re(1), two equivalent Mn(1), two equivalent B(1), and two equivalent B(2) atoms. The Re(1)-Re(1) bond length is 2.62 Å. Both Re(1)-Mn(1) bond lengths are 2.58 Å. Both Re(1)-B(1) bond lengths are 2.35 Å. Both Re(1)-B(2) bond lengths are 2.33 Å. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to six Mn(1,1); two equivalent B(1); and two equivalent B(2) atoms. There are four shorter (2.90 Å) and two longer (2.91 Å) Re(2)-Mn(1,1) bond lengths. Both Re(2)-B(1) bond lengths are 2.29 Å. Both Re(2)-B(2) bond lengths are 2.29 Å. In the third Re site, Re(3) is bonded in a 4-coordinate geometry to two Mn(1,1); two equivalent B(1); and two equivalent B(2) atoms. Both Re(3)-Mn(1,1) bond lengths are 2.86 Å. Both Re(3)-B(1) bond lengths are 2.35 Å. Both Re(3)-B(2) bond lengths are 2.36 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. There are four shorter (2.90 Å) and two longer (2.91 Å) Mn(1)-Re(2) bond lengths. The Mn(1)-Mn(1) bond length is 2.56 Å. Both Mn(1)-B(1) bond lengths are 2.32 Å. Both Mn(1)-B(2) bond lengths are 2.34 Å. In the second Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. Both Mn(1)-Re(1) bond lengths are 2.58 Å. The Mn(1)-Mn(1) bond length is 2.56 Å. Both Mn(1)-B(1) bond lengths are 2.32 Å. Both Mn(1)-B(2) bond lengths are 2.34 Å. In the third Mn site, Mn(1) is bonded in a 15-coordinate geometry to two equivalent Re(1), two equivalent Re(3), six equivalent Re(2), one Mn(1), two equivalent B(1), and two equivalent B(2) atoms. Both Mn(1)-Re(1) bond lengths are 2.58 Å. Both Mn(1)-Re(3) bond lengths are 2.86 Å. Both Mn(1)-B(1) bond lengths are 2.32 Å. Both Mn(1)-B(2) bond lengths are 2.34 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Re(2), two equivalent Re(3), two equivalent Mn(1), and two equivalent B(2) atoms. Both B(1)-B(2) bond lengths are 2.26 Å. In the second B site, B(2) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Re(2), two equivalent Re(3), two equivalent Mn(1), and two equivalent B(1) atoms.