Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing MnO5 square pyramids. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.
Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Sr(1)-O(2) bond length is 2.99 Å. Both Sr(1)-O(1) bond lengths are 2.83 Å. Both Sr(1)-O(3) bond lengths are 3.20 Å. Both Sr(1)-O(4) bond lengths are 2.70 Å. There is one shorter (2.66 Å) and one longer (2.87 Å) Sr(1)-O(5) bond length. Both Sr(1)-O(6) bond lengths are 2.65 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Sr(2)-O(2) bond length is 2.63 Å. Both Sr(2)-O(3) bond lengths are 2.63 Å. Both Sr(2)-O(4) bond lengths are 2.64 Å. There is one shorter (2.60 Å) and one longer (2.84 Å) Sr(2)-O(5) bond length. Both Sr(2)-O(6) bond lengths are 2.79 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MnO5 square pyramids. The Mn(1)-O(1) bond length is 2.22 Å. Both Mn(1)-O(2) bond lengths are 1.93 Å. Both Mn(1)-O(4) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing MnO5 square pyramids. The Mn(2)-O(4) bond length is 2.09 Å. Both Mn(2)-O(5) bond lengths are 1.92 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Mn(2)-O(6) bond length. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. The B(1)-O(1) bond length is 1.42 Å. Both B(1)-O(3) bond lengths are 1.39 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(2) atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°.