Ba3Fe2(C6O13)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(19), one O(20), one O(23), one O(24), and one O(25) atom. The Ba(1)-O(11) bond length is 2.93 Å. The Ba(1)-O(12) bond length is 2.84 Å. The Ba(1)-O(15) bond length is 3.07 Å. The Ba(1)-O(16) bond length is 2.77 Å. The Ba(1)-O(19) bond length is 2.75 Å. The Ba(1)-O(20) bond length is 2.91 Å. The Ba(1)-O(23) bond length is 2.78 Å. The Ba(1)-O(24) bond length is 2.80 Å. The Ba(1)-O(25) bond length is 2.88 Å. In the second Ba site, Ba(2) is bonded in a distorted hexagonal planar geometry to one O(15), one O(19), one O(26), one O(4), and two equivalent O(3) atoms. The Ba(2)-O(15) bond length is 2.80 Å. The Ba(2)-O(19) bond length is 3.06 Å. The Ba(2)-O(26) bond length is 2.97 Å. The Ba(2)-O(4) bond length is 2.78 Å. There is one shorter (2.83 Å) and one longer (2.89 Å) Ba(2)-O(3) bond length. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(16), one O(20), one O(25), one O(26), one O(7), and two equivalent O(8) atoms. The Ba(3)-O(16) bond length is 2.77 Å. The Ba(3)-O(20) bond length is 2.78 Å. The Ba(3)-O(25) bond length is 2.84 Å. The Ba(3)-O(26) bond length is 2.94 Å. The Ba(3)-O(7) bond length is 2.76 Å. There is one shorter (2.81 Å) and one longer (2.88 Å) Ba(3)-O(8) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The Fe(1)-O(1) bond length is 2.00 Å. The Fe(1)-O(10) bond length is 2.03 Å. The Fe(1)-O(2) bond length is 2.03 Å. The Fe(1)-O(5) bond length is 1.99 Å. The Fe(1)-O(6) bond length is 2.05 Å. The Fe(1)-O(9) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(13), one O(14), one O(17), one O(18), one O(21), and one O(22) atom. The Fe(2)-O(13) bond length is 2.02 Å. The Fe(2)-O(14) bond length is 2.01 Å. The Fe(2)-O(17) bond length is 2.03 Å. The Fe(2)-O(18) bond length is 2.00 Å. The Fe(2)-O(21) bond length is 2.01 Å. The Fe(2)-O(22) bond length is 1.98 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(3) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(3) bond length is 1.23 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. The C(2)-O(2) bond length is 1.28 Å. The C(2)-O(4) bond length is 1.23 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(7) atom. The C(3)-O(5) bond length is 1.27 Å. The C(3)-O(7) bond length is 1.24 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(8) atom. The C(4)-O(6) bond length is 1.24 Å. The C(4)-O(8) bond length is 1.23 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(9) atom. The C(5)-O(11) bond length is 1.23 Å. The C(5)-O(9) bond length is 1.29 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(12) atom. The C(6)-O(10) bond length is 1.26 Å. The C(6)-O(12) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(15) atom. The C(7)-O(13) bond length is 1.28 Å. The C(7)-O(15) bond length is 1.22 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(16) atom. The C(8)-O(14) bond length is 1.28 Å. The C(8)-O(16) bond length is 1.24 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one O(17) and one O(19) atom. The C(9)-O(17) bond length is 1.26 Å. The C(9)-O(19) bond length is 1.25 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one O(18) and one O(20) atom. The C(10)-O(18) bond length is 1.28 Å. The C(10)-O(20) bond length is 1.22 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one O(21) and one O(23) atom. The C(11)-O(21) bond length is 1.28 Å. The C(11)-O(23) bond length is 1.22 Å. In the twelfth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(22) and one O(24) atom. The C(12)-O(22) bond length is 1.28 Å. The C(12)-O(24) bond length is 1.23 Å. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ba(3) and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(3) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(1) and one C(6) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(1) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1) and one C(6) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(7) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(8) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(9) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(10) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(9) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one C(10) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(11) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Fe(2) and one C(12) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Ba(1) and one C(11) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Ba(1) and one C(12) atom. In the twenty-fifth O site, O(25) is bonded in a water-like geometry to one Ba(1) and one Ba(3) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Ba(2) and one Ba(3) atom. Linkers: 24 [O]C(=O)C([O])=O. Metal clusters: 12 [Ba] ,8 [Fe]. The MOF has largest included sphere 5.09 A, density 2.04 g/cm3, surface area 2528.06 m2/g, accessible volume 0.19 cm3/g