Ca3Cu6(AsO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(15), one O(18), one O(19), one O(27), one O(31), one O(5), one O(6), and one O(8) atom. In the second Ca site, Ca(2) is bonded to one O(15), one O(19), one O(22), one O(24), one O(28), and one O(29) atom to form CaO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the third Ca site, Ca(3) is bonded to one O(14), one O(16), one O(2), one O(21), one O(23), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(7)O4 tetrahedra, corners with two equivalent As(8)O4 tetrahedra,  an edgeedge with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(15), one O(24), and one O(25) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra,  a cornercorner with one As(7)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(13), one O(22), one O(29), and one O(32) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra,  a cornercorner with one As(8)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. In the third Cu site, Cu(3) is bonded to one O(16), one O(2), one O(27), one O(31), and one O(6) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra,  a cornercorner with one As(5)O4 tetrahedra, corners with two equivalent As(7)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the fourth Cu site, Cu(4) is bonded to one O(17), one O(21), one O(23), one O(26), and one O(4) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(8)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(13), one O(20), one O(25), and one O(30) atom. In the sixth Cu site, Cu(6) is bonded in a rectangular see-saw-like geometry to one O(12), one O(17), one O(31), and one O(8) atom. There are eight inequivalent As sites. In the first As site, As(1) is bonded to one O(22), one O(26), one O(28), and one O(32) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-63°. In the second As site, As(2) is bonded to one O(13), one O(24), one O(3), and one O(30) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the third As site, As(3) is bonded to one O(12), one O(17), one O(2), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the fourth As site, As(4) is bonded to one O(18), one O(23), one O(31), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the fifth As site, As(5) is bonded to one O(11), one O(15), one O(19), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-60°. In the sixth As site, As(6) is bonded to one O(20), one O(25), one O(29), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. In the seventh As site, As(7) is bonded to one O(10), one O(16), one O(27), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-59°. In the eighth As site, As(8) is bonded to one O(1), one O(14), one O(21), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-62°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one As(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one As(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(4) and one As(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one As(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Cu(3), and one As(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one As(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ca(1), one Cu(6), and one As(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(3) and one As(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(6) and one As(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(2), one Cu(5), and one As(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ca(3) and one As(8) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Cu(1), and one As(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one As(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Cu(4), one Cu(6), and one As(3) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Ca(1) and one As(4) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), and one As(5) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cu(5) and one As(6) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(4), and one As(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one As(1) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(4), and one As(4) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Ca(2), one Cu(1), and one As(2) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Cu(1), one Cu(5), and one As(6) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Cu(4) and one As(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(3), and one As(7) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one Ca(2) and one As(1) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one As(6) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Cu(5) and one As(2) atom. In the thirty-first O site, O(31) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(3), one Cu(6), and one As(4) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(1) atom.
Ca3Cu6(AsO4)8 crystallizes in the triclinic P1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(15), one O(18), one O(19), one O(27), one O(31), one O(5), one O(6), and one O(8) atom. The Ca(1)-O(15) bond length is 2.68 Å. The Ca(1)-O(18) bond length is 2.57 Å. The Ca(1)-O(19) bond length is 2.86 Å. The Ca(1)-O(27) bond length is 2.66 Å. The Ca(1)-O(31) bond length is 2.74 Å. The Ca(1)-O(5) bond length is 2.22 Å. The Ca(1)-O(6) bond length is 2.37 Å. The Ca(1)-O(8) bond length is 2.45 Å. In the second Ca site, Ca(2) is bonded to one O(15), one O(19), one O(22), one O(24), one O(28), and one O(29) atom to form CaO6 octahedra that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. The Ca(2)-O(15) bond length is 2.48 Å. The Ca(2)-O(19) bond length is 2.33 Å. The Ca(2)-O(22) bond length is 2.34 Å. The Ca(2)-O(24) bond length is 2.41 Å. The Ca(2)-O(28) bond length is 2.30 Å. The Ca(2)-O(29) bond length is 2.48 Å. In the third Ca site, Ca(3) is bonded to one O(14), one O(16), one O(2), one O(21), one O(23), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(7)O4 tetrahedra, corners with two equivalent As(8)O4 tetrahedra,  an edgeedge with one Cu(3)O5 trigonal bipyramid, and  an edgeedge with one Cu(4)O5 trigonal bipyramid. The Ca(3)-O(14) bond length is 2.31 Å. The Ca(3)-O(16) bond length is 2.44 Å. The Ca(3)-O(2) bond length is 2.40 Å. The Ca(3)-O(21) bond length is 2.41 Å. The Ca(3)-O(23) bond length is 2.45 Å. The Ca(3)-O(9) bond length is 2.31 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(10), one O(11), one O(15), one O(24), and one O(25) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra,  a cornercorner with one As(7)O4 tetrahedra, corners with two equivalent As(5)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. The Cu(1)-O(10) bond length is 1.83 Å. The Cu(1)-O(11) bond length is 1.90 Å. The Cu(1)-O(15) bond length is 2.44 Å. The Cu(1)-O(24) bond length is 1.88 Å. The Cu(1)-O(25) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(13), one O(22), one O(29), and one O(32) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(2)O4 tetrahedra,  a cornercorner with one As(6)O4 tetrahedra,  a cornercorner with one As(8)O4 tetrahedra, corners with two equivalent As(1)O4 tetrahedra, and  an edgeedge with one Ca(2)O6 octahedra. The Cu(2)-O(1) bond length is 1.82 Å. The Cu(2)-O(13) bond length is 2.04 Å. The Cu(2)-O(22) bond length is 2.15 Å. The Cu(2)-O(29) bond length is 1.90 Å. The Cu(2)-O(32) bond length is 1.89 Å. In the third Cu site, Cu(3) is bonded to one O(16), one O(2), one O(27), one O(31), and one O(6) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra,  a cornercorner with one As(5)O4 tetrahedra, corners with two equivalent As(7)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. The Cu(3)-O(16) bond length is 2.07 Å. The Cu(3)-O(2) bond length is 1.86 Å. The Cu(3)-O(27) bond length is 1.98 Å. The Cu(3)-O(31) bond length is 2.09 Å. The Cu(3)-O(6) bond length is 1.86 Å. In the fourth Cu site, Cu(4) is bonded to one O(17), one O(21), one O(23), one O(26), and one O(4) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one As(1)O4 tetrahedra,  a cornercorner with one As(3)O4 tetrahedra,  a cornercorner with one As(4)O4 tetrahedra, corners with two equivalent As(8)O4 tetrahedra, and  an edgeedge with one Ca(3)O6 octahedra. The Cu(4)-O(17) bond length is 2.05 Å. The Cu(4)-O(21) bond length is 2.08 Å. The Cu(4)-O(23) bond length is 1.93 Å. The Cu(4)-O(26) bond length is 1.82 Å. The Cu(4)-O(4) bond length is 1.92 Å. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(13), one O(20), one O(25), and one O(30) atom. The Cu(5)-O(13) bond length is 1.89 Å. The Cu(5)-O(20) bond length is 1.87 Å. The Cu(5)-O(25) bond length is 1.90 Å. The Cu(5)-O(30) bond length is 1.85 Å. In the sixth Cu site, Cu(6) is bonded in a rectangular see-saw-like geometry to one O(12), one O(17), one O(31), and one O(8) atom. The Cu(6)-O(12) bond length is 1.85 Å. The Cu(6)-O(17) bond length is 1.89 Å. The Cu(6)-O(31) bond length is 1.90 Å. The Cu(6)-O(8) bond length is 1.91 Å. There are eight inequivalent As sites. In the first As site, As(1) is bonded to one O(22), one O(26), one O(28), and one O(32) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(4)O5 trigonal bipyramid, and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-63°. The As(1)-O(22) bond length is 1.71 Å. The As(1)-O(26) bond length is 1.75 Å. The As(1)-O(28) bond length is 1.69 Å. The As(1)-O(32) bond length is 1.75 Å. In the second As site, As(2) is bonded to one O(13), one O(24), one O(3), and one O(30) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. The As(2)-O(13) bond length is 1.81 Å. The As(2)-O(24) bond length is 1.77 Å. The As(2)-O(3) bond length is 1.64 Å. The As(2)-O(30) bond length is 1.74 Å. In the third As site, As(3) is bonded to one O(12), one O(17), one O(2), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. The As(3)-O(12) bond length is 1.74 Å. The As(3)-O(17) bond length is 1.80 Å. The As(3)-O(2) bond length is 1.77 Å. The As(3)-O(7) bond length is 1.65 Å. In the fourth As site, As(4) is bonded to one O(18), one O(23), one O(31), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and  a cornercorner with one Cu(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. The As(4)-O(18) bond length is 1.66 Å. The As(4)-O(23) bond length is 1.73 Å. The As(4)-O(31) bond length is 1.82 Å. The As(4)-O(8) bond length is 1.75 Å. In the fifth As site, As(5) is bonded to one O(11), one O(15), one O(19), and one O(6) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra,  a cornercorner with one Cu(3)O5 trigonal bipyramid, and corners with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-60°. The As(5)-O(11) bond length is 1.73 Å. The As(5)-O(15) bond length is 1.71 Å. The As(5)-O(19) bond length is 1.70 Å. The As(5)-O(6) bond length is 1.77 Å. In the sixth As site, As(6) is bonded to one O(20), one O(25), one O(29), and one O(5) atom to form AsO4 tetrahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 56°. The As(6)-O(20) bond length is 1.74 Å. The As(6)-O(25) bond length is 1.79 Å. The As(6)-O(29) bond length is 1.74 Å. The As(6)-O(5) bond length is 1.66 Å. In the seventh As site, As(7) is bonded to one O(10), one O(16), one O(27), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and corners with two equivalent Cu(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-59°. The As(7)-O(10) bond length is 1.74 Å. The As(7)-O(16) bond length is 1.72 Å. The As(7)-O(27) bond length is 1.77 Å. The As(7)-O(9) bond length is 1.69 Å. In the eighth As site, As(8) is bonded to one O(1), one O(14), one O(21), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and corners with two equivalent Cu(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-62°. The As(8)-O(1) bond length is 1.74 Å. The As(8)-O(14) bond length is 1.69 Å. The As(8)-O(21) bond length is 1.73 Å. The As(8)-O(4) bond length is 1.75 Å. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one As(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one As(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(4) and one As(8) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ca(1) and one As(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Cu(3), and one As(5) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one As(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Ca(1), one Cu(6), and one As(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ca(3) and one As(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one As(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(6) and one As(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(2), one Cu(5), and one As(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Ca(3) and one As(8) atom. In the fifteenth O site, O(15) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ca(2), one Cu(1), and one As(5) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(3), and one As(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Cu(4), one Cu(6), and one As(3) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Ca(1) and one As(4) atom. In the nineteenth O site, O(19) is bonded in a 2-coordinate geometry to one Ca(1), one Ca(2), and one As(5) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cu(5) and one As(6) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(4), and one As(8) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one As(1) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Ca(3), one Cu(4), and one As(4) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Ca(2), one Cu(1), and one As(2) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Cu(1), one Cu(5), and one As(6) atom. In the twenty-sixth O site, O(26) is bonded in a bent 120 degrees geometry to one Cu(4) and one As(1) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cu(3), and one As(7) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one Ca(2) and one As(1) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Ca(2), one Cu(2), and one As(6) atom. In the thirtieth O site, O(30) is bonded in a bent 120 degrees geometry to one Cu(5) and one As(2) atom. In the thirty-first O site, O(31) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(3), one Cu(6), and one As(4) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Cu(2) and one As(1) atom.