The structure described by Fe9Zn3(PO4)8 crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(15), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Fe(5)O6 pentagonal pyramids, and edges with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(6) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(16), one O(4), one O(7), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(8) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(13), one O(14), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO6 octahedra that share corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(16), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Fe(4)O6 pentagonal pyramids, and edges with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 pentagonal pyramid, corners with three equivalent Fe(4)O6 pentagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid, corners with three equivalent Fe(5)O6 pentagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Fe(3)O6 pentagonal pyramid,  a cornercorner with one Fe(4)O6 pentagonal pyramid, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(16), 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 pentagonal pyramid,  a cornercorner with one Fe(5)O6 pentagonal pyramid, corners with two equivalent Fe(3)O6 pentagonal pyramids,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(5), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(4), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Zn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Zn(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Zn(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(4), one Zn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Zn3Fe9(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   9.660
_cell_length_c   10.571
_cell_angle_alpha   89.747
_cell_angle_beta   89.816
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   625.730
_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
  Zn  Zn0  1  0.000  0.750  0.500  1.0
  Zn  Zn1  1  1.000  0.250  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.736  0.742  0.217  1.0
  Fe  Fe5  1  0.735  0.241  0.217  1.0
  Fe  Fe6  1  0.264  0.990  0.283  1.0
  Fe  Fe7  1  0.264  0.491  0.283  1.0
  Fe  Fe8  1  0.265  0.759  0.783  1.0
  Fe  Fe9  1  0.264  0.258  0.783  1.0
  Fe  Fe10  1  0.736  0.509  0.717  1.0
  Fe  Fe11  1  0.736  0.010  0.717  1.0
  P  P12  1  0.762  0.965  0.401  1.0
  P  P13  1  0.762  0.465  0.400  1.0
  P  P14  1  0.238  0.716  0.100  1.0
  P  P15  1  0.238  0.214  0.100  1.0
  P  P16  1  0.238  0.535  0.600  1.0
  P  P17  1  0.238  0.035  0.599  1.0
  P  P18  1  0.762  0.786  0.900  1.0
  P  P19  1  0.762  0.284  0.900  1.0
  O  O20  1  0.754  0.842  0.038  1.0
  O  O21  1  0.754  0.340  0.037  1.0
  O  O22  1  0.245  0.593  0.462  1.0
  O  O23  1  0.245  0.093  0.462  1.0
  O  O24  1  0.246  0.660  0.963  1.0
  O  O25  1  0.246  0.158  0.962  1.0
  O  O26  1  0.755  0.907  0.538  1.0
  O  O27  1  0.755  0.407  0.538  1.0
  O  O28  1  0.777  0.625  0.395  1.0
  O  O29  1  0.777  0.125  0.395  1.0
  O  O30  1  0.222  0.876  0.105  1.0
  O  O31  1  0.222  0.373  0.104  1.0
  O  O32  1  0.223  0.875  0.605  1.0
  O  O33  1  0.223  0.375  0.605  1.0
  O  O34  1  0.778  0.627  0.896  1.0
  O  O35  1  0.778  0.124  0.895  1.0
  O  O36  1  0.572  0.910  0.319  1.0
  O  O37  1  0.573  0.410  0.318  1.0
  O  O38  1  0.428  0.660  0.182  1.0
  O  O39  1  0.428  0.159  0.182  1.0
  O  O40  1  0.427  0.590  0.682  1.0
  O  O41  1  0.428  0.090  0.681  1.0
  O  O42  1  0.572  0.841  0.818  1.0
  O  O43  1  0.572  0.340  0.818  1.0
  O  O44  1  0.971  0.890  0.341  1.0
  O  O45  1  0.972  0.391  0.340  1.0
  O  O46  1  0.030  0.642  0.160  1.0
  O  O47  1  0.029  0.140  0.160  1.0
  O  O48  1  0.028  0.609  0.660  1.0
  O  O49  1  0.029  0.110  0.659  1.0
  O  O50  1  0.971  0.860  0.840  1.0
  O  O51  1  0.970  0.358  0.840  1.0
[/CIF]
.
The structure described by Fe9Zn3(PO4)8 crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(15), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Fe(5)O6 pentagonal pyramids, and edges with two equivalent P(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the third Fe site, Fe(3) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(6) atom to form distorted FeO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(13), one O(16), one O(4), one O(7), and one O(9) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(8) atom to form distorted FeO6 pentagonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-64°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(13), one O(14), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO6 octahedra that share corners with two equivalent Fe(4)O6 pentagonal pyramids, corners with two equivalent Fe(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 pentagonal pyramid,  an edgeedge with one Fe(3)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(16), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Fe(2)O6 pentagonal pyramids, corners with two equivalent Fe(3)O6 pentagonal pyramids, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Fe(4)O6 pentagonal pyramids, and edges with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 pentagonal pyramid, corners with three equivalent Fe(4)O6 pentagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Fe(2)O6 pentagonal pyramid, corners with three equivalent Fe(5)O6 pentagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(2), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra,  a cornercorner with one Fe(3)O6 pentagonal pyramid,  a cornercorner with one Fe(4)O6 pentagonal pyramid, corners with two equivalent Fe(2)O6 pentagonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(5)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(16), 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 pentagonal pyramid,  a cornercorner with one Fe(5)O6 pentagonal pyramid, corners with two equivalent Fe(3)O6 pentagonal pyramids,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one Fe(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(5), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(4), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(3), one Zn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(4), one Zn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(5), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), one Fe(4), one Zn(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(5), one Zn(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Fe(3), one Fe(4), one Zn(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Zn3Fe9(PO4)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.128
_cell_length_b   9.660
_cell_length_c   10.571
_cell_angle_alpha   89.747
_cell_angle_beta   89.816
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   625.730
_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
  Zn  Zn0  1  0.000  0.750  0.500  1.0
  Zn  Zn1  1  1.000  0.250  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.736  0.742  0.217  1.0
  Fe  Fe5  1  0.735  0.241  0.217  1.0
  Fe  Fe6  1  0.264  0.990  0.283  1.0
  Fe  Fe7  1  0.264  0.491  0.283  1.0
  Fe  Fe8  1  0.265  0.759  0.783  1.0
  Fe  Fe9  1  0.264  0.258  0.783  1.0
  Fe  Fe10  1  0.736  0.509  0.717  1.0
  Fe  Fe11  1  0.736  0.010  0.717  1.0
  P  P12  1  0.762  0.965  0.401  1.0
  P  P13  1  0.762  0.465  0.400  1.0
  P  P14  1  0.238  0.716  0.100  1.0
  P  P15  1  0.238  0.214  0.100  1.0
  P  P16  1  0.238  0.535  0.600  1.0
  P  P17  1  0.238  0.035  0.599  1.0
  P  P18  1  0.762  0.786  0.900  1.0
  P  P19  1  0.762  0.284  0.900  1.0
  O  O20  1  0.754  0.842  0.038  1.0
  O  O21  1  0.754  0.340  0.037  1.0
  O  O22  1  0.245  0.593  0.462  1.0
  O  O23  1  0.245  0.093  0.462  1.0
  O  O24  1  0.246  0.660  0.963  1.0
  O  O25  1  0.246  0.158  0.962  1.0
  O  O26  1  0.755  0.907  0.538  1.0
  O  O27  1  0.755  0.407  0.538  1.0
  O  O28  1  0.777  0.625  0.395  1.0
  O  O29  1  0.777  0.125  0.395  1.0
  O  O30  1  0.222  0.876  0.105  1.0
  O  O31  1  0.222  0.373  0.104  1.0
  O  O32  1  0.223  0.875  0.605  1.0
  O  O33  1  0.223  0.375  0.605  1.0
  O  O34  1  0.778  0.627  0.896  1.0
  O  O35  1  0.778  0.124  0.895  1.0
  O  O36  1  0.572  0.910  0.319  1.0
  O  O37  1  0.573  0.410  0.318  1.0
  O  O38  1  0.428  0.660  0.182  1.0
  O  O39  1  0.428  0.159  0.182  1.0
  O  O40  1  0.427  0.590  0.682  1.0
  O  O41  1  0.428  0.090  0.681  1.0
  O  O42  1  0.572  0.841  0.818  1.0
  O  O43  1  0.572  0.340  0.818  1.0
  O  O44  1  0.971  0.890  0.341  1.0
  O  O45  1  0.972  0.391  0.340  1.0
  O  O46  1  0.030  0.642  0.160  1.0
  O  O47  1  0.029  0.140  0.160  1.0
  O  O48  1  0.028  0.609  0.660  1.0
  O  O49  1  0.029  0.110  0.659  1.0
  O  O50  1  0.971  0.860  0.840  1.0
  O  O51  1  0.970  0.358  0.840  1.0
[/CIF]
.