The material described by CoAlO3 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(18), one O(2), one O(3), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(4)O5 trigonal bipyramids, and corners with three equivalent Co(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-67°. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(17), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(3)O5 trigonal bipyramids, and corners with three equivalent Co(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-66°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(16), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and corners with three equivalent Co(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-65°. In the fourth Co site, Co(4) is bonded to one O(15), one O(2), one O(3), one O(6), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and corners with three equivalent Co(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-68°. In the fifth Co site, Co(5) is bonded to one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and corners with three equivalent Co(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-62°. In the sixth Co site, Co(6) is bonded to one O(1), one O(13), one O(4), one O(5), and one O(7) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and corners with three equivalent Co(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-65°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(4)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom. In the third Al site, Al(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, and edges with three equivalent Al(5)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, and edges with three equivalent Al(3)O6 octahedra. In the sixth Al site, Al(6) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Co(6), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eighth O site, O(8) is bonded to one Co(5), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the ninth O site, O(9) is bonded to one Co(4), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the tenth O site, O(10) is bonded to one Co(3), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eleventh O site, O(11) is bonded to one Co(2), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the twelfth O site, O(12) is bonded to one Co(1), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the thirteenth O site, O(13) is bonded to one Co(6), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Co(5), one Al(2), one Al(3), and one Al(5) atom. In the fifteenth O site, O(15) is bonded to one Co(4), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the sixteenth O site, O(16) is bonded to one Co(3), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the seventeenth O site, O(17) is bonded to one Co(2), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eighteenth O site, O(18) is bonded to one Co(1), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.291
_cell_length_b   5.545
_cell_length_c   11.855
_cell_angle_alpha   89.686
_cell_angle_beta   90.139
_cell_angle_gamma   120.124
_symmetry_Int_Tables_number   1
_cell_volume   300.835
_cell_formula_units_Z   6
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
  Al  Al0  1  0.669  0.333  0.253  1.0
  Al  Al1  1  0.335  0.696  0.760  1.0
  Al  Al2  1  0.666  0.335  0.750  1.0
  Al  Al3  1  0.339  0.663  0.254  1.0
  Al  Al4  1  0.995  0.996  0.750  1.0
  Al  Al5  1  0.998  0.992  0.252  1.0
  Co  Co6  1  0.667  0.001  0.500  1.0
  Co  Co7  1  0.631  0.644  0.001  1.0
  Co  Co8  1  0.028  0.335  0.002  1.0
  Co  Co9  1  0.010  0.669  0.503  1.0
  Co  Co10  1  0.334  0.325  0.506  1.0
  Co  Co11  1  0.331  0.031  0.007  1.0
  O  O12  1  0.675  0.347  0.999  1.0
  O  O13  1  0.355  0.658  0.507  1.0
  O  O14  1  0.686  0.326  0.496  1.0
  O  O15  1  0.304  0.688  0.003  1.0
  O  O16  1  0.960  0.997  0.998  1.0
  O  O17  1  0.009  0.982  0.496  1.0
  O  O18  1  0.326  0.013  0.828  1.0
  O  O19  1  0.334  0.330  0.336  1.0
  O  O20  1  0.008  0.654  0.324  1.0
  O  O21  1  0.016  0.345  0.831  1.0
  O  O22  1  0.646  0.659  0.823  1.0
  O  O23  1  0.671  0.995  0.324  1.0
  O  O24  1  0.332  0.021  0.177  1.0
  O  O25  1  0.328  0.301  0.664  1.0
  O  O26  1  0.001  0.660  0.678  1.0
  O  O27  1  0.012  0.333  0.172  1.0
  O  O28  1  0.659  0.661  0.177  1.0
  O  O29  1  0.675  0.011  0.680  1.0
[/CIF]
.
The material described by CoAlO3 crystallizes in the triclinic P1 space group. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(18), one O(2), one O(3), and one O(6) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(4)O5 trigonal bipyramids, and corners with three equivalent Co(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-67°. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(17), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(3)O5 trigonal bipyramids, and corners with three equivalent Co(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-66°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(16), one O(4), and one O(5) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and corners with three equivalent Co(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 60-65°. In the fourth Co site, Co(4) is bonded to one O(15), one O(2), one O(3), one O(6), and one O(9) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and corners with three equivalent Co(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-68°. In the fifth Co site, Co(5) is bonded to one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and corners with three equivalent Co(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 57-62°. In the sixth Co site, Co(6) is bonded to one O(1), one O(13), one O(4), one O(5), and one O(7) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra, corners with three equivalent Co(2)O5 trigonal bipyramids, and corners with three equivalent Co(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-65°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(4)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom. In the third Al site, Al(3) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, and edges with three equivalent Al(5)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(7) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, and edges with three equivalent Al(3)O6 octahedra. In the sixth Al site, Al(6) is bonded to one O(12), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form distorted AlO6 octahedra that share  a cornercorner with one Co(1)O5 trigonal bipyramid,  a cornercorner with one Co(2)O5 trigonal bipyramid,  a cornercorner with one Co(3)O5 trigonal bipyramid,  a cornercorner with one Co(4)O5 trigonal bipyramid,  a cornercorner with one Co(5)O5 trigonal bipyramid,  a cornercorner with one Co(6)O5 trigonal bipyramid, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(2), one Co(3), and one Co(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(5) atom. In the seventh O site, O(7) is bonded to one Co(6), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eighth O site, O(8) is bonded to one Co(5), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the ninth O site, O(9) is bonded to one Co(4), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the tenth O site, O(10) is bonded to one Co(3), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eleventh O site, O(11) is bonded to one Co(2), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the twelfth O site, O(12) is bonded to one Co(1), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the thirteenth O site, O(13) is bonded to one Co(6), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Co(5), one Al(2), one Al(3), and one Al(5) atom. In the fifteenth O site, O(15) is bonded to one Co(4), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the sixteenth O site, O(16) is bonded to one Co(3), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the seventeenth O site, O(17) is bonded to one Co(2), one Al(1), one Al(4), and one Al(6) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. In the eighteenth O site, O(18) is bonded to one Co(1), one Al(2), one Al(3), and one Al(5) atom to form a mixture of corner and edge-sharing OAl3Co tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.291
_cell_length_b   5.545
_cell_length_c   11.855
_cell_angle_alpha   89.686
_cell_angle_beta   90.139
_cell_angle_gamma   120.124
_symmetry_Int_Tables_number   1
_cell_volume   300.835
_cell_formula_units_Z   6
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
  Al  Al0  1  0.669  0.333  0.253  1.0
  Al  Al1  1  0.335  0.696  0.760  1.0
  Al  Al2  1  0.666  0.335  0.750  1.0
  Al  Al3  1  0.339  0.663  0.254  1.0
  Al  Al4  1  0.995  0.996  0.750  1.0
  Al  Al5  1  0.998  0.992  0.252  1.0
  Co  Co6  1  0.667  0.001  0.500  1.0
  Co  Co7  1  0.631  0.644  0.001  1.0
  Co  Co8  1  0.028  0.335  0.002  1.0
  Co  Co9  1  0.010  0.669  0.503  1.0
  Co  Co10  1  0.334  0.325  0.506  1.0
  Co  Co11  1  0.331  0.031  0.007  1.0
  O  O12  1  0.675  0.347  0.999  1.0
  O  O13  1  0.355  0.658  0.507  1.0
  O  O14  1  0.686  0.326  0.496  1.0
  O  O15  1  0.304  0.688  0.003  1.0
  O  O16  1  0.960  0.997  0.998  1.0
  O  O17  1  0.009  0.982  0.496  1.0
  O  O18  1  0.326  0.013  0.828  1.0
  O  O19  1  0.334  0.330  0.336  1.0
  O  O20  1  0.008  0.654  0.324  1.0
  O  O21  1  0.016  0.345  0.831  1.0
  O  O22  1  0.646  0.659  0.823  1.0
  O  O23  1  0.671  0.995  0.324  1.0
  O  O24  1  0.332  0.021  0.177  1.0
  O  O25  1  0.328  0.301  0.664  1.0
  O  O26  1  0.001  0.660  0.678  1.0
  O  O27  1  0.012  0.333  0.172  1.0
  O  O28  1  0.659  0.661  0.177  1.0
  O  O29  1  0.675  0.011  0.680  1.0
[/CIF]
.