The crystal structure described by K4Li5Cr2O8 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(2), one O(6), and two equivalent O(11) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(16), one O(3), one O(4), one O(7), and two equivalent O(12) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(13) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(10), one O(6), one O(8), and two equivalent O(15) atoms. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(11), one O(16), one O(6), one O(7), one O(9), and two equivalent O(2) atoms. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(8), and two equivalent O(4) atoms. In the seventh K site, K(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), and two equivalent O(5) atoms. In the eighth K site, K(8) is bonded in a 2-coordinate geometry to one O(15) and one O(3) atom. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(14), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(2)O4 tetrahedra,  an edgeedge with one Cr(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(5), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(5), and one O(7) atom. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Cr(3)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), and one O(3) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(2), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Cr(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(16), one O(2), one O(6), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(12), one O(13), one O(14), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(15), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  an edgeedge with one Li(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(7), one Li(10), one Li(3), one Li(5), and one Cr(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(10), one Li(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(8), one Li(4), one Li(9), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(2), one K(3), two equivalent K(6), one Li(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(7), one Li(4), one Li(5), one Li(6), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(4), one K(5), one Li(7), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(4), one Li(6), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(4), one K(6), one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one K(3), one K(5), one Li(10), one Li(3), one Li(5), one Li(8), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(4), one K(6), one K(7), one Li(9), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(5), two equivalent K(1), one Li(5), one Li(6), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one K(6), two equivalent K(2), one Li(7), one Li(9), and one Cr(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(6), one K(7), two equivalent K(3), one Li(1), one Li(10), and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(1), one K(7), one Li(1), one Li(4), one Li(6), one Li(9), and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(6), one K(8), two equivalent K(4), one Li(2), one Li(8), and one Cr(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one K(2), one K(5), one Li(2), one Li(7), one Li(8), and one Cr(1) atom. is represented by the CIF card [CIF]
data_K4Li5Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   8.774
_cell_length_c   10.881
_cell_angle_alpha   90.381
_cell_angle_beta   100.275
_cell_angle_gamma   90.410
_symmetry_Int_Tables_number   1
_cell_volume   528.164
_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
  K  K0  1  0.156  0.010  0.870  1.0
  K  K1  1  0.170  0.768  0.362  1.0
  K  K2  1  0.342  0.507  0.635  1.0
  K  K3  1  0.365  0.219  0.136  1.0
  K  K4  1  0.614  0.780  0.897  1.0
  K  K5  1  0.704  0.464  0.346  1.0
  K  K6  1  0.866  0.270  0.615  1.0
  K  K7  1  0.838  0.023  0.165  1.0
  Li  Li8  1  0.097  0.758  0.707  1.0
  Li  Li9  1  0.093  0.471  0.201  1.0
  Li  Li10  1  0.304  0.487  0.926  1.0
  Li  Li11  1  0.186  0.991  0.572  1.0
  Li  Li12  1  0.408  0.261  0.795  1.0
  Li  Li13  1  0.602  0.027  0.696  1.0
  Li  Li14  1  0.586  0.738  0.197  1.0
  Li  Li15  1  0.684  0.510  0.069  1.0
  Li  Li16  1  0.767  0.012  0.426  1.0
  Li  Li17  1  0.902  0.532  0.806  1.0
  Cr  Cr18  1  0.160  0.710  0.058  1.0
  Cr  Cr19  1  0.686  0.777  0.563  1.0
  Cr  Cr20  1  0.829  0.289  0.936  1.0
  Cr  Cr21  1  0.298  0.215  0.439  1.0
  O  O22  1  0.099  0.321  0.847  1.0
  O  O23  1  0.139  0.693  0.876  1.0
  O  O24  1  0.084  0.059  0.401  1.0
  O  O25  1  0.197  0.404  0.394  1.0
  O  O26  1  0.365  0.192  0.613  1.0
  O  O27  1  0.355  0.887  0.095  1.0
  O  O28  1  0.411  0.820  0.626  1.0
  O  O29  1  0.368  0.545  0.125  1.0
  O  O30  1  0.618  0.460  0.880  1.0
  O  O31  1  0.572  0.182  0.383  1.0
  O  O32  1  0.671  0.107  0.862  1.0
  O  O33  1  0.662  0.789  0.397  1.0
  O  O34  1  0.838  0.607  0.626  1.0
  O  O35  1  0.885  0.935  0.630  1.0
  O  O36  1  0.858  0.321  0.110  1.0
  O  O37  1  0.897  0.675  0.148  1.0
[/CIF]
.
The crystal structure described by K4Li5Cr2O8 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(14), one O(2), one O(6), and two equivalent O(11) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(16), one O(3), one O(4), one O(7), and two equivalent O(12) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(13) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(10), one O(6), one O(8), and two equivalent O(15) atoms. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(11), one O(16), one O(6), one O(7), one O(9), and two equivalent O(2) atoms. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(8), and two equivalent O(4) atoms. In the seventh K site, K(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), and two equivalent O(5) atoms. In the eighth K site, K(8) is bonded in a 2-coordinate geometry to one O(15) and one O(3) atom. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(4), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(14), one O(3), one O(5), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(2)O4 tetrahedra,  an edgeedge with one Cr(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(5), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(5), and one O(7) atom. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Cr(3)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), and one O(3) atom. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(2), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cr(1)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Cr(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(16), one O(2), one O(6), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(12), one O(13), one O(14), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the third Cr site, Cr(3) is bonded to one O(1), one O(11), one O(15), and one O(9) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(10)O4 tetrahedra, and  an edgeedge with one Li(8)O4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form CrO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  an edgeedge with one Li(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(7), one Li(10), one Li(3), one Li(5), and one Cr(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(5), one Li(1), one Li(10), one Li(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(8), one Li(4), one Li(9), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(2), one K(3), two equivalent K(6), one Li(2), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(7), one Li(4), one Li(5), one Li(6), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(4), one K(5), one Li(7), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), one Li(1), one Li(4), one Li(6), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(4), one K(6), one Li(2), one Li(3), one Li(7), one Li(8), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one K(3), one K(5), one Li(10), one Li(3), one Li(5), one Li(8), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(4), one K(6), one K(7), one Li(9), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(5), two equivalent K(1), one Li(5), one Li(6), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one K(6), two equivalent K(2), one Li(7), one Li(9), and one Cr(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(6), one K(7), two equivalent K(3), one Li(1), one Li(10), and one Cr(2) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(1), one K(7), one Li(1), one Li(4), one Li(6), one Li(9), and one Cr(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one K(6), one K(8), two equivalent K(4), one Li(2), one Li(8), and one Cr(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one K(2), one K(5), one Li(2), one Li(7), one Li(8), and one Cr(1) atom. is represented by the CIF card [CIF]
data_K4Li5Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   8.774
_cell_length_c   10.881
_cell_angle_alpha   90.381
_cell_angle_beta   100.275
_cell_angle_gamma   90.410
_symmetry_Int_Tables_number   1
_cell_volume   528.164
_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
  K  K0  1  0.156  0.010  0.870  1.0
  K  K1  1  0.170  0.768  0.362  1.0
  K  K2  1  0.342  0.507  0.635  1.0
  K  K3  1  0.365  0.219  0.136  1.0
  K  K4  1  0.614  0.780  0.897  1.0
  K  K5  1  0.704  0.464  0.346  1.0
  K  K6  1  0.866  0.270  0.615  1.0
  K  K7  1  0.838  0.023  0.165  1.0
  Li  Li8  1  0.097  0.758  0.707  1.0
  Li  Li9  1  0.093  0.471  0.201  1.0
  Li  Li10  1  0.304  0.487  0.926  1.0
  Li  Li11  1  0.186  0.991  0.572  1.0
  Li  Li12  1  0.408  0.261  0.795  1.0
  Li  Li13  1  0.602  0.027  0.696  1.0
  Li  Li14  1  0.586  0.738  0.197  1.0
  Li  Li15  1  0.684  0.510  0.069  1.0
  Li  Li16  1  0.767  0.012  0.426  1.0
  Li  Li17  1  0.902  0.532  0.806  1.0
  Cr  Cr18  1  0.160  0.710  0.058  1.0
  Cr  Cr19  1  0.686  0.777  0.563  1.0
  Cr  Cr20  1  0.829  0.289  0.936  1.0
  Cr  Cr21  1  0.298  0.215  0.439  1.0
  O  O22  1  0.099  0.321  0.847  1.0
  O  O23  1  0.139  0.693  0.876  1.0
  O  O24  1  0.084  0.059  0.401  1.0
  O  O25  1  0.197  0.404  0.394  1.0
  O  O26  1  0.365  0.192  0.613  1.0
  O  O27  1  0.355  0.887  0.095  1.0
  O  O28  1  0.411  0.820  0.626  1.0
  O  O29  1  0.368  0.545  0.125  1.0
  O  O30  1  0.618  0.460  0.880  1.0
  O  O31  1  0.572  0.182  0.383  1.0
  O  O32  1  0.671  0.107  0.862  1.0
  O  O33  1  0.662  0.789  0.397  1.0
  O  O34  1  0.838  0.607  0.626  1.0
  O  O35  1  0.885  0.935  0.630  1.0
  O  O36  1  0.858  0.321  0.110  1.0
  O  O37  1  0.897  0.675  0.148  1.0
[/CIF]
.