The structure described by Li6Fe3Co7O20 crystallizes in the monoclinic P2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Li site, Li(2) is bonded to one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the third Li site, Li(3) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Li site, Li(4) is bonded to two equivalent O(8) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the third Co site, Co(3) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Co(2), and two equivalent Co(1) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(4)Li2FeCo2 square pyramids, corners with three equivalent O(1)LiCo3 trigonal pyramids, edges with two equivalent O(5)Li3Co3 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 19°. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share  a cornercorner with one O(5)Li3Co3 octahedra, corners with four equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 square pyramids, and edges with two equivalent O(1)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and two equivalent Co(3) atoms to form OLi2FeCo2 square pyramids that share corners with four equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(1)LiCo3 trigonal pyramids, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li2Co3 square pyramid, corners with four equivalent O(4)Li2FeCo2 square pyramids, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li2FeCo2 square pyramids, and edges with two equivalent O(1)LiCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Fe(1), and one Co(3) atom to form OLi2Fe2Co square pyramids that share corners with four equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(3), two equivalent Fe(1), and one Co(4) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe2Co square pyramid, corners with four equivalent O(6)Li2Fe2Co square pyramids,  a cornercorner with one O(1)LiCo3 trigonal pyramid, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Fe(1), and two equivalent Co(4) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(4), two equivalent Fe(2), and one Co(4) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(7)Li3Fe2Co octahedra, corners with four equivalent O(10)Li2Fe2Co square pyramids, and edges with four equivalent O(10)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF file [CIF]
data_Li6Fe3Co7O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.704
_cell_length_b   2.876
_cell_length_c   5.896
_cell_angle_alpha   90.000
_cell_angle_beta   84.299
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.376
_cell_formula_units_Z   1
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
  Li  Li0  1  0.100  0.500  0.200  1.0
  Li  Li1  1  0.285  0.500  0.557  1.0
  Li  Li2  1  0.404  0.000  0.801  1.0
  Li  Li3  1  0.600  0.000  0.200  1.0
  Li  Li4  1  0.796  0.000  0.599  1.0
  Li  Li5  1  0.915  0.500  0.843  1.0
  Fe  Fe6  1  0.400  0.000  0.279  1.0
  Fe  Fe7  1  0.600  0.000  0.700  1.0
  Fe  Fe8  1  0.800  0.000  0.121  1.0
  Co  Co9  1  0.002  0.000  0.502  1.0
  Co  Co10  1  0.100  0.500  0.700  1.0
  Co  Co11  1  0.198  0.000  0.898  1.0
  Co  Co12  1  0.296  0.500  0.093  1.0
  Co  Co13  1  0.499  0.500  0.497  1.0
  Co  Co14  1  0.701  0.500  0.903  1.0
  Co  Co15  1  0.904  0.500  0.307  1.0
  O  O16  1  0.007  0.500  0.709  1.0
  O  O17  1  0.093  0.000  0.483  1.0
  O  O18  1  0.107  0.000  0.917  1.0
  O  O19  1  0.203  0.500  0.105  1.0
  O  O20  1  0.193  0.500  0.691  1.0
  O  O21  1  0.302  0.000  0.314  1.0
  O  O22  1  0.290  0.000  0.875  1.0
  O  O23  1  0.389  0.500  0.050  1.0
  O  O24  1  0.407  0.500  0.523  1.0
  O  O25  1  0.499  0.000  0.288  1.0
  O  O26  1  0.501  0.000  0.706  1.0
  O  O27  1  0.590  0.500  0.466  1.0
  O  O28  1  0.610  0.500  0.934  1.0
  O  O29  1  0.701  0.000  0.112  1.0
  O  O30  1  0.699  0.000  0.694  1.0
  O  O31  1  0.811  0.500  0.350  1.0
  O  O32  1  0.793  0.500  0.877  1.0
  O  O33  1  0.898  0.000  0.086  1.0
  O  O34  1  0.910  0.000  0.525  1.0
  O  O35  1  0.997  0.500  0.295  1.0
[/CIF]
.
The structure described by Li6Fe3Co7O20 crystallizes in the monoclinic P2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the second Li site, Li(2) is bonded to one O(1), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the third Li site, Li(3) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the fourth Li site, Li(4) is bonded to two equivalent O(8) and four equivalent O(10) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(10) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-21°. In the third Co site, Co(3) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the fourth Co site, Co(4) is bonded to one O(10), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Co(2), and two equivalent Co(1) atoms to form OLiCo3 trigonal pyramids that share  a cornercorner with one O(7)Li3Fe2Co octahedra, corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(4)Li2FeCo2 square pyramids, corners with three equivalent O(1)LiCo3 trigonal pyramids, edges with two equivalent O(5)Li3Co3 octahedra, and edges with two equivalent O(2)Li2Co3 square pyramids. The corner-sharing octahedral tilt angles are 19°. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share  a cornercorner with one O(5)Li3Co3 octahedra, corners with four equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(1)LiCo3 trigonal pyramids, edges with four equivalent O(2)Li2Co3 square pyramids, and edges with two equivalent O(1)LiCo3 trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(3), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Fe(1), and two equivalent Co(3) atoms to form OLi2FeCo2 square pyramids that share corners with four equivalent O(5)Li3Co3 octahedra, corners with two equivalent O(1)LiCo3 trigonal pyramids, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li2Co3 square pyramid, corners with four equivalent O(4)Li2FeCo2 square pyramids, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, edges with two equivalent O(4)Li2FeCo2 square pyramids, and edges with two equivalent O(1)LiCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(3), two equivalent Fe(1), and one Co(3) atom to form OLi2Fe2Co square pyramids that share corners with four equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Li(3), two equivalent Fe(1), and one Co(4) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(10)Li2Fe2Co square pyramid, corners with four equivalent O(6)Li2Fe2Co square pyramids,  a cornercorner with one O(1)LiCo3 trigonal pyramid, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(7)Li3Fe2Co octahedra, edges with two equivalent O(6)Li2Fe2Co square pyramids, and edges with two equivalent O(4)Li2FeCo2 square pyramids. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Fe(1), and two equivalent Co(4) atoms. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(2), and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(4), two equivalent Fe(2), and one Co(4) atom to form OLi2Fe2Co square pyramids that share  a cornercorner with one O(7)Li3Fe2Co octahedra, corners with four equivalent O(10)Li2Fe2Co square pyramids, and edges with four equivalent O(10)Li2Fe2Co square pyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF file [CIF]
data_Li6Fe3Co7O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.704
_cell_length_b   2.876
_cell_length_c   5.896
_cell_angle_alpha   90.000
_cell_angle_beta   84.299
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.376
_cell_formula_units_Z   1
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
  Li  Li0  1  0.100  0.500  0.200  1.0
  Li  Li1  1  0.285  0.500  0.557  1.0
  Li  Li2  1  0.404  0.000  0.801  1.0
  Li  Li3  1  0.600  0.000  0.200  1.0
  Li  Li4  1  0.796  0.000  0.599  1.0
  Li  Li5  1  0.915  0.500  0.843  1.0
  Fe  Fe6  1  0.400  0.000  0.279  1.0
  Fe  Fe7  1  0.600  0.000  0.700  1.0
  Fe  Fe8  1  0.800  0.000  0.121  1.0
  Co  Co9  1  0.002  0.000  0.502  1.0
  Co  Co10  1  0.100  0.500  0.700  1.0
  Co  Co11  1  0.198  0.000  0.898  1.0
  Co  Co12  1  0.296  0.500  0.093  1.0
  Co  Co13  1  0.499  0.500  0.497  1.0
  Co  Co14  1  0.701  0.500  0.903  1.0
  Co  Co15  1  0.904  0.500  0.307  1.0
  O  O16  1  0.007  0.500  0.709  1.0
  O  O17  1  0.093  0.000  0.483  1.0
  O  O18  1  0.107  0.000  0.917  1.0
  O  O19  1  0.203  0.500  0.105  1.0
  O  O20  1  0.193  0.500  0.691  1.0
  O  O21  1  0.302  0.000  0.314  1.0
  O  O22  1  0.290  0.000  0.875  1.0
  O  O23  1  0.389  0.500  0.050  1.0
  O  O24  1  0.407  0.500  0.523  1.0
  O  O25  1  0.499  0.000  0.288  1.0
  O  O26  1  0.501  0.000  0.706  1.0
  O  O27  1  0.590  0.500  0.466  1.0
  O  O28  1  0.610  0.500  0.934  1.0
  O  O29  1  0.701  0.000  0.112  1.0
  O  O30  1  0.699  0.000  0.694  1.0
  O  O31  1  0.811  0.500  0.350  1.0
  O  O32  1  0.793  0.500  0.877  1.0
  O  O33  1  0.898  0.000  0.086  1.0
  O  O34  1  0.910  0.000  0.525  1.0
  O  O35  1  0.997  0.500  0.295  1.0
[/CIF]
.