The material described by Li4Fe5Sb(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(14), one O(20), and one O(24) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(15), one O(17), and one O(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(19), one O(2), and one O(21) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(19), and one O(3) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom. Sb(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-41°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(5), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(5), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Fe(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Fe(1), one Sb(1), and one P(4) atom to form distorted OLiFeSbP trigonal pyramids that share  a cornercorner with one O(14)LiFe2P trigonal pyramid,  an edgeedge with one O(15)Li2Fe2P trigonal bipyramid, and  an edgeedge with one O(18)LiFeSbP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Sb(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Fe(1), one Fe(4), and one P(3) atom to form distorted corner-sharing OLiFe2P trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Fe(3), one Fe(5), and one P(4) atom to form distorted OLi2Fe2P trigonal bipyramids that share  an edgeedge with one O(11)LiFeSbP trigonal pyramid and  a faceface with one O(19)Li2Fe2P trigonal bipyramid. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Sb(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(3), one Fe(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Fe(1), one Sb(1), and one P(5) atom to form distorted OLiFeSbP trigonal pyramids that share  a cornercorner with one O(19)Li2Fe2P trigonal bipyramid,  a cornercorner with one O(14)LiFe2P trigonal pyramid, and  an edgeedge with one O(11)LiFeSbP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Fe(3), one Fe(5), and one P(6) atom to form distorted OLi2Fe2P trigonal bipyramids that share  a cornercorner with one O(18)LiFeSbP trigonal pyramid and  a faceface with one O(15)Li2Fe2P trigonal bipyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Sb(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   8.504
_cell_length_c   8.533
_cell_angle_alpha   64.718
_cell_angle_beta   65.194
_cell_angle_gamma   65.249
_symmetry_Int_Tables_number   1
_cell_volume   477.057
_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  0.749  0.139  0.353  1.0
  Li  Li1  1  0.280  0.839  0.646  1.0
  Li  Li2  1  0.639  0.279  0.841  1.0
  Li  Li3  1  0.841  0.641  0.285  1.0
  Fe  Fe4  1  0.011  0.001  0.998  1.0
  Fe  Fe5  1  0.349  0.353  0.348  1.0
  Fe  Fe6  1  0.492  0.504  0.501  1.0
  Fe  Fe7  1  0.144  0.150  0.148  1.0
  Fe  Fe8  1  0.656  0.658  0.660  1.0
  Sb  Sb9  1  0.843  0.836  0.842  1.0
  P  P10  1  0.076  0.748  0.432  1.0
  P  P11  1  0.429  0.075  0.749  1.0
  P  P12  1  0.747  0.433  0.073  1.0
  P  P13  1  0.249  0.544  0.947  1.0
  P  P14  1  0.554  0.949  0.250  1.0
  P  P15  1  0.938  0.245  0.545  1.0
  O  O16  1  0.485  0.907  0.689  1.0
  O  O17  1  0.686  0.485  0.907  1.0
  O  O18  1  0.906  0.684  0.488  1.0
  O  O19  1  0.070  0.901  0.250  1.0
  O  O20  1  0.080  0.810  0.576  1.0
  O  O21  1  0.259  0.588  0.412  1.0
  O  O22  1  0.239  0.084  0.892  1.0
  O  O23  1  0.424  0.252  0.582  1.0
  O  O24  1  0.172  0.399  0.975  1.0
  O  O25  1  0.592  0.412  0.260  1.0
  O  O26  1  0.102  0.745  0.922  1.0
  O  O27  1  0.396  0.995  0.183  1.0
  O  O28  1  0.574  0.073  0.818  1.0
  O  O29  1  0.886  0.239  0.091  1.0
  O  O30  1  0.405  0.568  0.760  1.0
  O  O31  1  0.817  0.576  0.072  1.0
  O  O32  1  0.569  0.761  0.405  1.0
  O  O33  1  0.755  0.918  0.100  1.0
  O  O34  1  0.754  0.406  0.570  1.0
  O  O35  1  0.943  0.173  0.408  1.0
  O  O36  1  0.925  0.100  0.744  1.0
  O  O37  1  0.110  0.305  0.483  1.0
  O  O38  1  0.317  0.501  0.106  1.0
  O  O39  1  0.538  0.103  0.313  1.0
[/CIF]
.
The material described by Li4Fe5Sb(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(14), one O(20), and one O(24) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(15), one O(17), and one O(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(19), one O(2), and one O(21) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(18), one O(19), and one O(3) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom. Sb(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-41°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Fe(5), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(5), and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(4), one Fe(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Fe(3), and one P(3) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Fe(1), one Sb(1), and one P(4) atom to form distorted OLiFeSbP trigonal pyramids that share  a cornercorner with one O(14)LiFe2P trigonal pyramid,  an edgeedge with one O(15)Li2Fe2P trigonal bipyramid, and  an edgeedge with one O(18)LiFeSbP trigonal pyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Sb(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Fe(1), one Fe(4), and one P(3) atom to form distorted corner-sharing OLiFe2P trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Li(2), one Li(3), one Fe(3), one Fe(5), and one P(4) atom to form distorted OLi2Fe2P trigonal bipyramids that share  an edgeedge with one O(11)LiFeSbP trigonal pyramid and  a faceface with one O(19)Li2Fe2P trigonal bipyramid. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Sb(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Fe(3), one Fe(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Fe(1), one Sb(1), and one P(5) atom to form distorted OLiFeSbP trigonal pyramids that share  a cornercorner with one O(19)Li2Fe2P trigonal bipyramid,  a cornercorner with one O(14)LiFe2P trigonal pyramid, and  an edgeedge with one O(11)LiFeSbP trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Fe(3), one Fe(5), and one P(6) atom to form distorted OLi2Fe2P trigonal bipyramids that share  a cornercorner with one O(18)LiFeSbP trigonal pyramid and  a faceface with one O(15)Li2Fe2P trigonal bipyramid. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Sb(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Fe5Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.374
_cell_length_b   8.504
_cell_length_c   8.533
_cell_angle_alpha   64.718
_cell_angle_beta   65.194
_cell_angle_gamma   65.249
_symmetry_Int_Tables_number   1
_cell_volume   477.057
_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  0.749  0.139  0.353  1.0
  Li  Li1  1  0.280  0.839  0.646  1.0
  Li  Li2  1  0.639  0.279  0.841  1.0
  Li  Li3  1  0.841  0.641  0.285  1.0
  Fe  Fe4  1  0.011  0.001  0.998  1.0
  Fe  Fe5  1  0.349  0.353  0.348  1.0
  Fe  Fe6  1  0.492  0.504  0.501  1.0
  Fe  Fe7  1  0.144  0.150  0.148  1.0
  Fe  Fe8  1  0.656  0.658  0.660  1.0
  Sb  Sb9  1  0.843  0.836  0.842  1.0
  P  P10  1  0.076  0.748  0.432  1.0
  P  P11  1  0.429  0.075  0.749  1.0
  P  P12  1  0.747  0.433  0.073  1.0
  P  P13  1  0.249  0.544  0.947  1.0
  P  P14  1  0.554  0.949  0.250  1.0
  P  P15  1  0.938  0.245  0.545  1.0
  O  O16  1  0.485  0.907  0.689  1.0
  O  O17  1  0.686  0.485  0.907  1.0
  O  O18  1  0.906  0.684  0.488  1.0
  O  O19  1  0.070  0.901  0.250  1.0
  O  O20  1  0.080  0.810  0.576  1.0
  O  O21  1  0.259  0.588  0.412  1.0
  O  O22  1  0.239  0.084  0.892  1.0
  O  O23  1  0.424  0.252  0.582  1.0
  O  O24  1  0.172  0.399  0.975  1.0
  O  O25  1  0.592  0.412  0.260  1.0
  O  O26  1  0.102  0.745  0.922  1.0
  O  O27  1  0.396  0.995  0.183  1.0
  O  O28  1  0.574  0.073  0.818  1.0
  O  O29  1  0.886  0.239  0.091  1.0
  O  O30  1  0.405  0.568  0.760  1.0
  O  O31  1  0.817  0.576  0.072  1.0
  O  O32  1  0.569  0.761  0.405  1.0
  O  O33  1  0.755  0.918  0.100  1.0
  O  O34  1  0.754  0.406  0.570  1.0
  O  O35  1  0.943  0.173  0.408  1.0
  O  O36  1  0.925  0.100  0.744  1.0
  O  O37  1  0.110  0.305  0.483  1.0
  O  O38  1  0.317  0.501  0.106  1.0
  O  O39  1  0.538  0.103  0.313  1.0
[/CIF]
.