The structure described by Ca2CoAlO5 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(10), one O(2), one O(5), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(7), one O(8), one O(9), and two equivalent O(6) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(7), one O(8), one O(9), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the second Co site, Co(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-12°. 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  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and corners with two equivalent Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. 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  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), one Ca(4), one Al(1), and one Al(2) atom to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(9)Ca4Co2 octahedra, and corners with two equivalent O(2)Ca2Al2 tetrahedra. The corner-sharing octahedral tilt angles range from 16-85°. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Al(1), and one Al(2) atom to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(9)Ca4Co2 octahedra, and corners with two equivalent O(1)Ca2Al2 tetrahedra. The corner-sharing octahedral tilt angles range from 15-86°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(4), two equivalent Ca(1), one Co(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(3), one Co(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(4), one Co(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(3), two equivalent Ca(2), one Co(2), and one Al(2) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(9)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(9)Ca4Co2 octahedra, faces with two equivalent O(10)Ca4Co2 octahedra, and faces with two equivalent O(8)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(10)Ca4Co2 octahedra, faces with two equivalent O(7)Ca4Co2 octahedra, and faces with two equivalent O(9)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(7)Ca4Co2 octahedra, faces with two equivalent O(10)Ca4Co2 octahedra, and faces with two equivalent O(8)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(8)Ca4Co2 octahedra, faces with two equivalent O(7)Ca4Co2 octahedra, and faces with two equivalent O(9)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Ca2AlCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.575
_cell_length_c   8.326
_cell_angle_alpha   109.687
_cell_angle_beta   108.810
_cell_angle_gamma   88.977
_symmetry_Int_Tables_number   1
_cell_volume   216.996
_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  0.118  0.644  0.221  1.0
  Ca  Ca1  1  0.403  0.922  0.779  1.0
  Ca  Ca2  1  0.898  0.361  0.781  1.0
  Ca  Ca3  1  0.621  0.080  0.220  1.0
  Al  Al4  1  0.295  0.328  0.504  1.0
  Al  Al5  1  0.790  0.675  0.497  1.0
  Co  Co6  1  0.498  0.501  1.000  1.0
  Co  Co7  1  0.998  0.001  0.999  1.0
  O  O8  1  0.629  0.393  0.500  1.0
  O  O9  1  0.129  0.613  0.501  1.0
  O  O10  1  0.618  0.708  0.287  1.0
  O  O11  1  0.332  0.296  0.714  1.0
  O  O12  1  0.118  0.078  0.304  1.0
  O  O13  1  0.813  0.927  0.697  1.0
  O  O14  1  0.242  0.738  0.974  1.0
  O  O15  1  0.256  0.252  0.028  1.0
  O  O16  1  0.759  0.272  0.026  1.0
  O  O17  1  0.746  0.744  0.972  1.0
[/CIF]
.
The structure described by Ca2CoAlO5 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(10), one O(2), one O(5), one O(7), one O(8), one O(9), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(7), one O(8), one O(9), and two equivalent O(6) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(7), one O(8), one O(9), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the second Co site, Co(2) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a cornercorner with one Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-12°. 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  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and corners with two equivalent Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. 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  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), one Ca(4), one Al(1), and one Al(2) atom to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(9)Ca4Co2 octahedra, and corners with two equivalent O(2)Ca2Al2 tetrahedra. The corner-sharing octahedral tilt angles range from 16-85°. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Al(1), and one Al(2) atom to form distorted OCa2Al2 tetrahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(9)Ca4Co2 octahedra, and corners with two equivalent O(1)Ca2Al2 tetrahedra. The corner-sharing octahedral tilt angles range from 15-86°. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(4), two equivalent Ca(1), one Co(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(3), one Co(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(4), one Co(2), and one Al(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(3), two equivalent Ca(2), one Co(2), and one Al(2) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(9)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(9)Ca4Co2 octahedra, faces with two equivalent O(10)Ca4Co2 octahedra, and faces with two equivalent O(8)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(10)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(10)Ca4Co2 octahedra, faces with two equivalent O(7)Ca4Co2 octahedra, and faces with two equivalent O(9)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(7)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(7)Ca4Co2 octahedra, faces with two equivalent O(10)Ca4Co2 octahedra, and faces with two equivalent O(8)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the tenth O site, O(10) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with two equivalent O(8)Ca4Co2 octahedra, corners with two equivalent O(1)Ca2Al2 tetrahedra, corners with two equivalent O(2)Ca2Al2 tetrahedra, edges with two equivalent O(8)Ca4Co2 octahedra, faces with two equivalent O(7)Ca4Co2 octahedra, and faces with two equivalent O(9)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_Ca2AlCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.575
_cell_length_c   8.326
_cell_angle_alpha   109.687
_cell_angle_beta   108.810
_cell_angle_gamma   88.977
_symmetry_Int_Tables_number   1
_cell_volume   216.996
_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  0.118  0.644  0.221  1.0
  Ca  Ca1  1  0.403  0.922  0.779  1.0
  Ca  Ca2  1  0.898  0.361  0.781  1.0
  Ca  Ca3  1  0.621  0.080  0.220  1.0
  Al  Al4  1  0.295  0.328  0.504  1.0
  Al  Al5  1  0.790  0.675  0.497  1.0
  Co  Co6  1  0.498  0.501  1.000  1.0
  Co  Co7  1  0.998  0.001  0.999  1.0
  O  O8  1  0.629  0.393  0.500  1.0
  O  O9  1  0.129  0.613  0.501  1.0
  O  O10  1  0.618  0.708  0.287  1.0
  O  O11  1  0.332  0.296  0.714  1.0
  O  O12  1  0.118  0.078  0.304  1.0
  O  O13  1  0.813  0.927  0.697  1.0
  O  O14  1  0.242  0.738  0.974  1.0
  O  O15  1  0.256  0.252  0.028  1.0
  O  O16  1  0.759  0.272  0.026  1.0
  O  O17  1  0.746  0.744  0.972  1.0
[/CIF]
.