The material described by Li6CrFe3(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. Cr(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), and one P(4) atom to form distorted OLi3CrP trigonal bipyramids that share corners with two equivalent O(17)Li3FeP trigonal bipyramids,  an edgeedge with one O(16)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3CrP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Fe(3), and one P(4) atom to form distorted OLi3FeP trigonal bipyramids that share corners with two equivalent O(22)Li3CrP trigonal bipyramids,  an edgeedge with one O(11)Li3CrP trigonal bipyramid, and  a faceface with one O(17)Li3FeP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Fe(3), and one P(5) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(22)Li3CrP trigonal bipyramid, corners with two equivalent O(11)Li3CrP trigonal bipyramids, and  a faceface with one O(16)Li3FeP trigonal bipyramid. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(6), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Fe(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Cr(1), and one P(6) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(17)Li3FeP trigonal bipyramid, corners with two equivalent O(16)Li3FeP trigonal bipyramids, and  a faceface with one O(11)Li3CrP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6CrFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.621
_cell_length_c   8.622
_cell_angle_alpha   61.367
_cell_angle_beta   61.388
_cell_angle_gamma   61.404
_symmetry_Int_Tables_number   1
_cell_volume   464.601
_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  0.025  0.007  0.997  1.0
  Li  Li1  1  0.750  0.153  0.347  1.0
  Li  Li2  1  0.476  0.503  0.494  1.0
  Li  Li3  1  0.250  0.843  0.653  1.0
  Li  Li4  1  0.655  0.252  0.841  1.0
  Li  Li5  1  0.841  0.655  0.249  1.0
  Cr  Cr6  1  0.856  0.854  0.854  1.0
  Fe  Fe7  1  0.146  0.145  0.137  1.0
  Fe  Fe8  1  0.353  0.363  0.355  1.0
  Fe  Fe9  1  0.647  0.648  0.649  1.0
  P  P10  1  0.048  0.751  0.453  1.0
  P  P11  1  0.454  0.049  0.748  1.0
  P  P12  1  0.750  0.456  0.046  1.0
  P  P13  1  0.249  0.542  0.958  1.0
  P  P14  1  0.544  0.962  0.250  1.0
  P  P15  1  0.955  0.248  0.538  1.0
  O  O16  1  0.127  0.291  0.496  1.0
  O  O17  1  0.301  0.510  0.119  1.0
  O  O18  1  0.045  0.923  0.271  1.0
  O  O19  1  0.530  0.120  0.296  1.0
  O  O20  1  0.239  0.593  0.430  1.0
  O  O21  1  0.019  0.803  0.615  1.0
  O  O22  1  0.264  0.068  0.908  1.0
  O  O23  1  0.452  0.232  0.577  1.0
  O  O24  1  0.593  0.431  0.240  1.0
  O  O25  1  0.197  0.381  0.991  1.0
  O  O26  1  0.088  0.735  0.935  1.0
  O  O27  1  0.372  0.004  0.207  1.0
  O  O28  1  0.616  0.016  0.805  1.0
  O  O29  1  0.908  0.262  0.067  1.0
  O  O30  1  0.805  0.616  0.016  1.0
  O  O31  1  0.410  0.567  0.764  1.0
  O  O32  1  0.566  0.768  0.411  1.0
  O  O33  1  0.734  0.934  0.086  1.0
  O  O34  1  0.970  0.201  0.379  1.0
  O  O35  1  0.765  0.412  0.568  1.0
  O  O36  1  0.486  0.886  0.693  1.0
  O  O37  1  0.937  0.087  0.730  1.0
  O  O38  1  0.691  0.488  0.887  1.0
  O  O39  1  0.887  0.690  0.490  1.0
[/CIF]
.
The material described by Li6CrFe3(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. Cr(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-44°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Fe(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Fe(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Cr(1), and one P(4) atom to form distorted OLi3CrP trigonal bipyramids that share corners with two equivalent O(17)Li3FeP trigonal bipyramids,  an edgeedge with one O(16)Li3FeP trigonal bipyramid, and  a faceface with one O(22)Li3CrP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Fe(3), and one P(4) atom to form distorted OLi3FeP trigonal bipyramids that share corners with two equivalent O(22)Li3CrP trigonal bipyramids,  an edgeedge with one O(11)Li3CrP trigonal bipyramid, and  a faceface with one O(17)Li3FeP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Fe(3), and one P(5) atom to form distorted OLi3FeP trigonal bipyramids that share  a cornercorner with one O(22)Li3CrP trigonal bipyramid, corners with two equivalent O(11)Li3CrP trigonal bipyramids, and  a faceface with one O(16)Li3FeP trigonal bipyramid. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(6), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(3), one Li(5), one Li(6), one Fe(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Fe(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Cr(1), and one P(6) atom to form distorted OLi3CrP trigonal bipyramids that share  a cornercorner with one O(17)Li3FeP trigonal bipyramid, corners with two equivalent O(16)Li3FeP trigonal bipyramids, and  a faceface with one O(11)Li3CrP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Fe(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Li6CrFe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.621
_cell_length_c   8.622
_cell_angle_alpha   61.367
_cell_angle_beta   61.388
_cell_angle_gamma   61.404
_symmetry_Int_Tables_number   1
_cell_volume   464.601
_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  0.025  0.007  0.997  1.0
  Li  Li1  1  0.750  0.153  0.347  1.0
  Li  Li2  1  0.476  0.503  0.494  1.0
  Li  Li3  1  0.250  0.843  0.653  1.0
  Li  Li4  1  0.655  0.252  0.841  1.0
  Li  Li5  1  0.841  0.655  0.249  1.0
  Cr  Cr6  1  0.856  0.854  0.854  1.0
  Fe  Fe7  1  0.146  0.145  0.137  1.0
  Fe  Fe8  1  0.353  0.363  0.355  1.0
  Fe  Fe9  1  0.647  0.648  0.649  1.0
  P  P10  1  0.048  0.751  0.453  1.0
  P  P11  1  0.454  0.049  0.748  1.0
  P  P12  1  0.750  0.456  0.046  1.0
  P  P13  1  0.249  0.542  0.958  1.0
  P  P14  1  0.544  0.962  0.250  1.0
  P  P15  1  0.955  0.248  0.538  1.0
  O  O16  1  0.127  0.291  0.496  1.0
  O  O17  1  0.301  0.510  0.119  1.0
  O  O18  1  0.045  0.923  0.271  1.0
  O  O19  1  0.530  0.120  0.296  1.0
  O  O20  1  0.239  0.593  0.430  1.0
  O  O21  1  0.019  0.803  0.615  1.0
  O  O22  1  0.264  0.068  0.908  1.0
  O  O23  1  0.452  0.232  0.577  1.0
  O  O24  1  0.593  0.431  0.240  1.0
  O  O25  1  0.197  0.381  0.991  1.0
  O  O26  1  0.088  0.735  0.935  1.0
  O  O27  1  0.372  0.004  0.207  1.0
  O  O28  1  0.616  0.016  0.805  1.0
  O  O29  1  0.908  0.262  0.067  1.0
  O  O30  1  0.805  0.616  0.016  1.0
  O  O31  1  0.410  0.567  0.764  1.0
  O  O32  1  0.566  0.768  0.411  1.0
  O  O33  1  0.734  0.934  0.086  1.0
  O  O34  1  0.970  0.201  0.379  1.0
  O  O35  1  0.765  0.412  0.568  1.0
  O  O36  1  0.486  0.886  0.693  1.0
  O  O37  1  0.937  0.087  0.730  1.0
  O  O38  1  0.691  0.488  0.887  1.0
  O  O39  1  0.887  0.690  0.490  1.0
[/CIF]
.