Mn3Zn3P6(HO12)2 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(19), and one O(4) atom to form MnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Mn(1)-O(1) bond length is 2.01 Å. The Mn(1)-O(10) bond length is 1.92 Å. The Mn(1)-O(19) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 2.01 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The Mn(2)-O(1) bond length is 1.96 Å. The Mn(2)-O(2) bond length is 1.91 Å. The Mn(2)-O(4) bond length is 1.99 Å. The Mn(2)-O(9) bond length is 1.93 Å. In the third Mn site, Mn(3) is bonded to one O(20), one O(24), one O(3), and one O(5) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. The Mn(3)-O(20) bond length is 1.92 Å. The Mn(3)-O(24) bond length is 1.93 Å. The Mn(3)-O(3) bond length is 1.96 Å. The Mn(3)-O(5) bond length is 1.93 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(13), one O(16), one O(22), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Zn(1)-O(13) bond length is 2.01 Å. The Zn(1)-O(16) bond length is 2.01 Å. The Zn(1)-O(22) bond length is 1.92 Å. The Zn(1)-O(7) bond length is 1.93 Å. In the second Zn site, Zn(2) is bonded to one O(13), one O(14), one O(16), and one O(21) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with three equivalent P(5)O4 tetrahedra. The Zn(2)-O(13) bond length is 1.96 Å. The Zn(2)-O(14) bond length is 1.91 Å. The Zn(2)-O(16) bond length is 1.99 Å. The Zn(2)-O(21) bond length is 1.93 Å. In the third Zn site, Zn(3) is bonded to one O(12), one O(15), one O(17), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Zn(3)-O(12) bond length is 1.93 Å. The Zn(3)-O(15) bond length is 1.96 Å. The Zn(3)-O(17) bond length is 1.93 Å. The Zn(3)-O(8) bond length is 1.92 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Zn(1)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The P(1)-O(10) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra and corners with three equivalent Mn(2)O4 tetrahedra. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(9) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O4 tetrahedra and corners with two equivalent Zn(3)O4 tetrahedra. The P(3)-O(11) bond length is 1.58 Å. The P(3)-O(12) bond length is 1.52 Å. The P(3)-O(5) bond length is 1.52 Å. The P(3)-O(8) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(19), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The P(4)-O(15) bond length is 1.52 Å. The P(4)-O(16) bond length is 1.57 Å. The P(4)-O(19) bond length is 1.53 Å. The P(4)-O(22) bond length is 1.52 Å. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(18), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra and corners with three equivalent Zn(2)O4 tetrahedra. The P(5)-O(13) bond length is 1.57 Å. The P(5)-O(14) bond length is 1.53 Å. The P(5)-O(18) bond length is 1.51 Å. The P(5)-O(21) bond length is 1.53 Å. In the sixth P site, P(6) is bonded to one O(17), one O(20), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra and corners with two equivalent Mn(3)O4 tetrahedra. The P(6)-O(17) bond length is 1.52 Å. The P(6)-O(20) bond length is 1.51 Å. The P(6)-O(23) bond length is 1.58 Å. The P(6)-O(24) bond length is 1.52 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(11) and one O(18) atom. The H(1)-O(11) bond length is 0.95 Å. The H(1)-O(18) bond length is 1.57 Å. In the second H site, H(2) is bonded in a linear geometry to one O(23) and one O(6) atom. The H(2)-O(23) bond length is 0.95 Å. The H(2)-O(6) bond length is 1.57 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one P(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Zn(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one P(5) and one H(1) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(4) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one P(6) and one H(2) atom. In the twenty-fourth O site, O(24) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(6) atom. Linkers: 4 [O]P([O])(=O)O ,8 [O]P([O])([O])=O. Metal clusters: 6 [Mn] ,6 [Zn]. The MOF has largest included sphere 4.32 A, density 2.24 g/cm3, surface area 2428.52 m2/g, accessible volume 0.19 cm3/g