BaFe2(SeO3)4 crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1), one Fe(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Fe(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom.
BaFe2(SeO3)4 crystallizes in the monoclinic P2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Ba(1)-O(1) bond lengths are 2.80 Å. Both Ba(1)-O(2) bond lengths are 3.34 Å. Both Ba(1)-O(3) bond lengths are 2.89 Å. Both Ba(1)-O(4) bond lengths are 3.02 Å. Both Ba(1)-O(5) bond lengths are 2.85 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Both Fe(1)-O(1) bond lengths are 2.09 Å. Both Fe(1)-O(4) bond lengths are 2.00 Å. Both Fe(1)-O(6) bond lengths are 2.03 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Fe(2)-O(2) bond lengths are 2.02 Å. Both Fe(2)-O(3) bond lengths are 2.09 Å. Both Fe(2)-O(5) bond lengths are 2.04 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(4), and one O(5) atom. The Se(1)-O(1) bond length is 1.73 Å. The Se(1)-O(4) bond length is 1.73 Å. The Se(1)-O(5) bond length is 1.74 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. The Se(2)-O(2) bond length is 1.73 Å. The Se(2)-O(3) bond length is 1.75 Å. The Se(2)-O(6) bond length is 1.72 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ba(1), one Fe(2), and one Se(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Fe(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(2), and one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom.