Ca2BAsO8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. B(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. As(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Ca(2), and one B(1) atom.
Ca2BAsO8 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ca(1)-O(1) bond lengths are 2.46 Å. All Ca(1)-O(2) bond lengths are 2.51 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ca(2)-O(1) bond lengths are 2.31 Å. All Ca(2)-O(2) bond lengths are 2.61 Å. B(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. All B(1)-O(2) bond lengths are 1.45 Å. As(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All As(1)-O(1) bond lengths are 1.72 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Ca(2), and one B(1) atom.