Ba2MgFe2B2(P2O9)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(2), one O(3), one O(4), one O(7), and two equivalent O(13) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(16), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(14) atoms. Mg(1) is bonded to one O(1), one O(11), one O(14), one O(18), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(17), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(17), and one O(18) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(17), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second B site, B(2) is bonded to one O(16), one O(18), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Ba(2), one B(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one B(2) atom.
Ba2MgFe2B2(P2O9)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(2), one O(3), one O(4), one O(7), and two equivalent O(13) atoms. The Ba(1)-O(1) bond length is 2.92 Å. The Ba(1)-O(10) bond length is 2.81 Å. The Ba(1)-O(11) bond length is 2.97 Å. The Ba(1)-O(15) bond length is 2.95 Å. The Ba(1)-O(2) bond length is 2.92 Å. The Ba(1)-O(3) bond length is 2.98 Å. The Ba(1)-O(4) bond length is 2.81 Å. The Ba(1)-O(7) bond length is 2.93 Å. There is one shorter (2.83 Å) and one longer (3.03 Å) Ba(1)-O(13) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(16), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(14) atoms. The Ba(2)-O(1) bond length is 2.93 Å. The Ba(2)-O(12) bond length is 2.83 Å. The Ba(2)-O(16) bond length is 3.00 Å. The Ba(2)-O(2) bond length is 2.88 Å. The Ba(2)-O(3) bond length is 2.74 Å. The Ba(2)-O(4) bond length is 2.95 Å. The Ba(2)-O(8) bond length is 2.94 Å. The Ba(2)-O(9) bond length is 2.88 Å. There is one shorter (2.85 Å) and one longer (2.99 Å) Ba(2)-O(14) bond length. Mg(1) is bonded to one O(1), one O(11), one O(14), one O(18), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mg(1)-O(1) bond length is 2.13 Å. The Mg(1)-O(11) bond length is 2.25 Å. The Mg(1)-O(14) bond length is 2.07 Å. The Mg(1)-O(18) bond length is 2.00 Å. The Mg(1)-O(4) bond length is 2.20 Å. The Mg(1)-O(9) bond length is 2.11 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(17), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Fe(1)-O(10) bond length is 2.21 Å. The Fe(1)-O(12) bond length is 2.32 Å. The Fe(1)-O(13) bond length is 2.08 Å. The Fe(1)-O(17) bond length is 2.02 Å. The Fe(1)-O(2) bond length is 2.21 Å. The Fe(1)-O(3) bond length is 2.23 Å. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(17), and one O(18) atom. The Fe(2)-O(11) bond length is 2.18 Å. The Fe(2)-O(12) bond length is 2.16 Å. The Fe(2)-O(17) bond length is 1.95 Å. The Fe(2)-O(18) bond length is 1.94 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(17), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The B(1)-O(15) bond length is 1.52 Å. The B(1)-O(17) bond length is 1.41 Å. The B(1)-O(6) bond length is 1.49 Å. The B(1)-O(7) bond length is 1.54 Å. In the second B site, B(2) is bonded to one O(16), one O(18), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The B(2)-O(16) bond length is 1.53 Å. The B(2)-O(18) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.50 Å. The B(2)-O(8) bond length is 1.53 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. The P(3)-O(11) bond length is 1.56 Å. The P(3)-O(13) bond length is 1.56 Å. The P(3)-O(15) bond length is 1.60 Å. The P(3)-O(9) bond length is 1.52 Å. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. The P(4)-O(10) bond length is 1.52 Å. The P(4)-O(12) bond length is 1.56 Å. The P(4)-O(14) bond length is 1.55 Å. The P(4)-O(16) bond length is 1.60 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Ba(2), one B(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one B(2) atom.