CaBiAsO6 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Bi(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom.
CaBiAsO6 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. The Ca(1)-O(1) bond length is 2.30 Å. The Ca(1)-O(4) bond length is 2.47 Å. The Ca(1)-O(5) bond length is 2.48 Å. There is one shorter (2.52 Å) and one longer (2.65 Å) Ca(1)-O(2) bond length. There is one shorter (2.35 Å) and one longer (2.48 Å) Ca(1)-O(6) bond length. Bi(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. The Bi(1)-O(2) bond length is 2.46 Å. The Bi(1)-O(3) bond length is 2.20 Å. The Bi(1)-O(5) bond length is 2.47 Å. There is one shorter (2.09 Å) and one longer (2.25 Å) Bi(1)-O(1) bond length. There is one shorter (2.15 Å) and one longer (2.19 Å) Bi(1)-O(4) bond length. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. The As(1)-O(2) bond length is 1.76 Å. The As(1)-O(3) bond length is 1.75 Å. The As(1)-O(5) bond length is 1.72 Å. The As(1)-O(6) bond length is 1.70 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1), one Bi(1), and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Bi(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ca(1) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Bi(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom.