The material structure described by Ca2AlBiO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form distorted CaO6 pentagonal pyramids that share corners with four equivalent Ca(4)O6 pentagonal pyramids, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(4), and one O(6) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and one O(7) atom. In the fourth Ca site, Ca(4) is bonded to one O(1), one O(10), one O(3), one O(5), one O(8), and one O(9) atom to form distorted CaO6 pentagonal pyramids that share corners with four equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with two equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Ca(4)O6 pentagonal pyramids, and corners with two equivalent Al(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Ca(4)O6 pentagonal pyramids, and corners with two equivalent Al(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ca2AlBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   6.018
_cell_length_c   8.753
_cell_angle_alpha   110.009
_cell_angle_beta   107.613
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   265.754
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.162  0.630  0.240  1.0
  Ca  Ca1  1  0.416  0.884  0.712  1.0
  Ca  Ca2  1  0.917  0.325  0.712  1.0
  Ca  Ca3  1  0.660  0.110  0.240  1.0
  Al  Al4  1  0.277  0.308  0.485  1.0
  Al  Al5  1  0.777  0.675  0.485  1.0
  Bi  Bi6  1  0.519  0.500  0.008  1.0
  Bi  Bi7  1  0.017  0.010  0.008  1.0
  O  O8  1  0.586  0.439  0.506  1.0
  O  O9  1  0.087  0.565  0.508  1.0
  O  O10  1  0.635  0.750  0.298  1.0
  O  O11  1  0.288  0.225  0.663  1.0
  O  O12  1  0.135  0.048  0.299  1.0
  O  O13  1  0.788  0.935  0.663  1.0
  O  O14  1  0.114  0.610  0.966  1.0
  O  O15  1  0.350  0.295  0.126  1.0
  O  O16  1  0.852  0.333  0.129  1.0
  O  O17  1  0.613  0.858  0.967  1.0
[/CIF]
.
The material structure described by Ca2AlBiO5 crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form distorted CaO6 pentagonal pyramids that share corners with four equivalent Ca(4)O6 pentagonal pyramids, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(4), and one O(6) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and one O(7) atom. In the fourth Ca site, Ca(4) is bonded to one O(1), one O(10), one O(3), one O(5), one O(8), and one O(9) atom to form distorted CaO6 pentagonal pyramids that share corners with four equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with two equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Ca(4)O6 pentagonal pyramids, and corners with two equivalent Al(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Ca(1)O6 pentagonal pyramids, corners with two equivalent Ca(4)O6 pentagonal pyramids, and corners with two equivalent Al(1)O4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(4), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OCa2Bi2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ca2AlBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   6.018
_cell_length_c   8.753
_cell_angle_alpha   110.009
_cell_angle_beta   107.613
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   265.754
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.162  0.630  0.240  1.0
  Ca  Ca1  1  0.416  0.884  0.712  1.0
  Ca  Ca2  1  0.917  0.325  0.712  1.0
  Ca  Ca3  1  0.660  0.110  0.240  1.0
  Al  Al4  1  0.277  0.308  0.485  1.0
  Al  Al5  1  0.777  0.675  0.485  1.0
  Bi  Bi6  1  0.519  0.500  0.008  1.0
  Bi  Bi7  1  0.017  0.010  0.008  1.0
  O  O8  1  0.586  0.439  0.506  1.0
  O  O9  1  0.087  0.565  0.508  1.0
  O  O10  1  0.635  0.750  0.298  1.0
  O  O11  1  0.288  0.225  0.663  1.0
  O  O12  1  0.135  0.048  0.299  1.0
  O  O13  1  0.788  0.935  0.663  1.0
  O  O14  1  0.114  0.610  0.966  1.0
  O  O15  1  0.350  0.295  0.126  1.0
  O  O16  1  0.852  0.333  0.129  1.0
  O  O17  1  0.613  0.858  0.967  1.0
[/CIF]
.