Ca4Mg4V3AsO20 is Esseneite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(16), one O(17), one O(19), one O(3), one O(7), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(12), one O(15), one O(18), one O(2), one O(20), one O(4), one O(7), and one O(8) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(14), one O(17), one O(19), one O(3), one O(5), one O(6), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(18), one O(2), one O(20), one O(4), one O(5), and one O(6) atom. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(10), one O(15), one O(16), one O(17), one O(2), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. In the second Mg site, Mg(2) is bonded to one O(1), one O(10), one O(15), one O(16), one O(18), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(11), one O(12), one O(13), one O(14), one O(19), and one O(4) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(4)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(20), and one O(3) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(18), one O(2), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second V site, V(2) is bonded to one O(15), one O(19), one O(3), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the third V site, V(3) is bonded to one O(16), one O(20), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. As(1) is bonded to one O(1), one O(13), one O(17), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(2), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(4), and one V(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(3), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(4), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(4), and one V(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ca(3), one Mg(1), and one Mg(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(4), one Mg(1), and one Mg(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Mg(3), and one Mg(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ca(2), one Mg(3), and one Mg(4) atom. In the thirteenth O site, O(13) is bonded to one Ca(4), one Mg(3), one Mg(4), and one As(1) atom to form distorted corner-sharing OCaMg2As trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Ca(3), one Mg(3), one Mg(4), and one V(1) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Ca(2), one Mg(1), one Mg(2), and one V(2) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Ca(1), one Mg(1), one Mg(2), and one V(3) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(1), and one As(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(2), and one V(1) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(3), and one V(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(4), and one V(3) atom.
Ca4Mg4V3AsO20 is Esseneite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(16), one O(17), one O(19), one O(3), one O(7), and one O(8) atom. The Ca(1)-O(1) bond length is 2.50 Å. The Ca(1)-O(11) bond length is 2.28 Å. The Ca(1)-O(16) bond length is 2.49 Å. The Ca(1)-O(17) bond length is 2.61 Å. The Ca(1)-O(19) bond length is 2.58 Å. The Ca(1)-O(3) bond length is 2.66 Å. The Ca(1)-O(7) bond length is 2.63 Å. The Ca(1)-O(8) bond length is 2.50 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(12), one O(15), one O(18), one O(2), one O(20), one O(4), one O(7), and one O(8) atom. The Ca(2)-O(12) bond length is 2.29 Å. The Ca(2)-O(15) bond length is 2.50 Å. The Ca(2)-O(18) bond length is 2.60 Å. The Ca(2)-O(2) bond length is 2.48 Å. The Ca(2)-O(20) bond length is 2.61 Å. The Ca(2)-O(4) bond length is 2.68 Å. The Ca(2)-O(7) bond length is 2.49 Å. The Ca(2)-O(8) bond length is 2.63 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(14), one O(17), one O(19), one O(3), one O(5), one O(6), and one O(9) atom. The Ca(3)-O(1) bond length is 2.76 Å. The Ca(3)-O(14) bond length is 2.48 Å. The Ca(3)-O(17) bond length is 2.68 Å. The Ca(3)-O(19) bond length is 2.58 Å. The Ca(3)-O(3) bond length is 2.48 Å. The Ca(3)-O(5) bond length is 2.57 Å. The Ca(3)-O(6) bond length is 2.50 Å. The Ca(3)-O(9) bond length is 2.29 Å. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(18), one O(2), one O(20), one O(4), one O(5), and one O(6) atom. The Ca(4)-O(10) bond length is 2.29 Å. The Ca(4)-O(13) bond length is 2.55 Å. The Ca(4)-O(18) bond length is 2.60 Å. The Ca(4)-O(2) bond length is 2.68 Å. The Ca(4)-O(20) bond length is 2.62 Å. The Ca(4)-O(4) bond length is 2.49 Å. The Ca(4)-O(5) bond length is 2.48 Å. The Ca(4)-O(6) bond length is 2.61 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(10), one O(15), one O(16), one O(17), one O(2), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(2)O6 octahedra. The Mg(1)-O(10) bond length is 2.00 Å. The Mg(1)-O(15) bond length is 2.11 Å. The Mg(1)-O(16) bond length is 2.15 Å. The Mg(1)-O(17) bond length is 2.16 Å. The Mg(1)-O(2) bond length is 2.13 Å. The Mg(1)-O(9) bond length is 2.00 Å. In the second Mg site, Mg(2) is bonded to one O(1), one O(10), one O(15), one O(16), one O(18), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The Mg(2)-O(1) bond length is 2.12 Å. The Mg(2)-O(10) bond length is 1.99 Å. The Mg(2)-O(15) bond length is 2.14 Å. The Mg(2)-O(16) bond length is 2.11 Å. The Mg(2)-O(18) bond length is 2.14 Å. The Mg(2)-O(9) bond length is 2.00 Å. In the third Mg site, Mg(3) is bonded to one O(11), one O(12), one O(13), one O(14), one O(19), and one O(4) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(4)O6 octahedra. The Mg(3)-O(11) bond length is 1.99 Å. The Mg(3)-O(12) bond length is 2.00 Å. The Mg(3)-O(13) bond length is 2.10 Å. The Mg(3)-O(14) bond length is 2.15 Å. The Mg(3)-O(19) bond length is 2.16 Å. The Mg(3)-O(4) bond length is 2.14 Å. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(20), and one O(3) atom to form MgO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one As(1)O4 tetrahedra, and edges with two equivalent Mg(3)O6 octahedra. The Mg(4)-O(11) bond length is 1.99 Å. The Mg(4)-O(12) bond length is 1.99 Å. The Mg(4)-O(13) bond length is 2.15 Å. The Mg(4)-O(14) bond length is 2.11 Å. The Mg(4)-O(20) bond length is 2.16 Å. The Mg(4)-O(3) bond length is 2.13 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(18), one O(2), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. The V(1)-O(14) bond length is 1.77 Å. The V(1)-O(18) bond length is 1.77 Å. The V(1)-O(2) bond length is 1.76 Å. The V(1)-O(6) bond length is 1.71 Å. In the second V site, V(2) is bonded to one O(15), one O(19), one O(3), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. The V(2)-O(15) bond length is 1.77 Å. The V(2)-O(19) bond length is 1.77 Å. The V(2)-O(3) bond length is 1.76 Å. The V(2)-O(7) bond length is 1.71 Å. In the third V site, V(3) is bonded to one O(16), one O(20), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. The V(3)-O(16) bond length is 1.78 Å. The V(3)-O(20) bond length is 1.77 Å. The V(3)-O(4) bond length is 1.76 Å. The V(3)-O(8) bond length is 1.72 Å. As(1) is bonded to one O(1), one O(13), one O(17), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, and  a cornercorner with one Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. The As(1)-O(1) bond length is 1.74 Å. The As(1)-O(13) bond length is 1.75 Å. The As(1)-O(17) bond length is 1.73 Å. The As(1)-O(5) bond length is 1.72 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(2), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(4), and one V(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(3), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(4), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(4), and one V(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ca(3), one Mg(1), and one Mg(2) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(4), one Mg(1), and one Mg(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Mg(3), and one Mg(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ca(2), one Mg(3), and one Mg(4) atom. In the thirteenth O site, O(13) is bonded to one Ca(4), one Mg(3), one Mg(4), and one As(1) atom to form distorted corner-sharing OCaMg2As trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Ca(3), one Mg(3), one Mg(4), and one V(1) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Ca(2), one Mg(1), one Mg(2), and one V(2) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Ca(1), one Mg(1), one Mg(2), and one V(3) atom to form distorted corner-sharing OCaMg2V trigonal pyramids. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(1), and one As(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(2), and one V(1) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Mg(3), and one V(2) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mg(4), and one V(3) atom.