The crystal structure described by Na2MnFeCd(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(5), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(18), and one O(20) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(19), one O(22), one O(24), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Cd(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(20), one O(21), one O(23), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cd(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(17), one O(22), one O(24), one O(3), and one O(6) atom to form FeO6 octahedra that share  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, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(18), one O(21), one O(23), one O(4), and one O(5) atom to form FeO6 octahedra that share  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, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(10), one O(13), one O(14), one O(7), one O(8), and one O(9) atom to form distorted CdO6 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, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(17), and one O(19) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Cd(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Cd(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the third P site, P(3) is bonded to one O(15), one O(23), one O(3), and one O(7) 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 Cd(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(16), one O(24), one O(4), 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 Cd(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the fifth P site, P(5) is bonded to one O(10), one O(17), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the sixth P site, P(6) is bonded to one O(11), one O(12), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(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 Na(3), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mn(2), one Cd(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), one Cd(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Mn(1), one Cd(1), and one P(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Mn(2), one Cd(1), and one P(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Cd(1), one Cd(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Cd(1), one Cd(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Cd(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Cd(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(1), one Cd(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(4), one Fe(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cd(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Na(4), one Mn(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Na2MnCdFe(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   8.856
_cell_length_c   8.909
_cell_angle_alpha   92.356
_cell_angle_beta   106.806
_cell_angle_gamma   106.203
_symmetry_Int_Tables_number   1
_cell_volume   477.498
_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
  Na  Na0  1  0.751  0.022  0.978  1.0
  Na  Na1  1  0.249  0.978  0.023  1.0
  Na  Na2  1  0.745  0.732  0.267  1.0
  Na  Na3  1  0.504  0.504  0.495  1.0
  Mn  Mn4  1  0.357  0.931  0.620  1.0
  Mn  Mn5  1  0.145  0.378  0.071  1.0
  Cd  Cd6  1  0.252  0.268  0.732  1.0
  Cd  Cd7  1  0.994  0.507  0.495  1.0
  Fe  Fe8  1  0.640  0.061  0.383  1.0
  Fe  Fe9  1  0.860  0.618  0.937  1.0
  P  P10  1  0.365  0.656  0.866  1.0
  P  P11  1  0.128  0.134  0.346  1.0
  P  P12  1  0.635  0.340  0.136  1.0
  P  P13  1  0.873  0.864  0.659  1.0
  P  P14  1  0.753  0.285  0.718  1.0
  P  P15  1  0.248  0.721  0.276  1.0
  O  O16  1  0.398  0.831  0.838  1.0
  O  O17  1  0.099  0.160  0.171  1.0
  O  O18  1  0.626  0.168  0.180  1.0
  O  O19  1  0.876  0.821  0.830  1.0
  O  O20  1  0.588  0.644  0.977  1.0
  O  O21  1  0.906  0.016  0.352  1.0
  O  O22  1  0.408  0.323  0.012  1.0
  O  O23  1  0.098  0.992  0.681  1.0
  O  O24  1  0.546  0.171  0.744  1.0
  O  O25  1  0.960  0.255  0.830  1.0
  O  O26  1  0.454  0.851  0.261  1.0
  O  O27  1  0.040  0.739  0.149  1.0
  O  O28  1  0.301  0.542  0.707  1.0
  O  O29  1  0.181  0.291  0.457  1.0
  O  O30  1  0.683  0.454  0.286  1.0
  O  O31  1  0.836  0.715  0.548  1.0
  O  O32  1  0.760  0.262  0.543  1.0
  O  O33  1  0.746  0.459  0.742  1.0
  O  O34  1  0.209  0.738  0.439  1.0
  O  O35  1  0.287  0.559  0.260  1.0
  O  O36  1  0.178  0.601  0.941  1.0
  O  O37  1  0.322  0.063  0.405  1.0
  O  O38  1  0.819  0.405  0.057  1.0
  O  O39  1  0.683  0.939  0.590  1.0
[/CIF]
.
The crystal structure described by Na2MnFeCd(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(5), and one O(6) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(18), and one O(20) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(19), one O(22), one O(24), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Cd(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(20), one O(21), one O(23), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Cd(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(17), one O(22), one O(24), one O(3), and one O(6) atom to form FeO6 octahedra that share  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, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(18), one O(21), one O(23), one O(4), and one O(5) atom to form FeO6 octahedra that share  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, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(10), one O(13), one O(14), one O(7), one O(8), and one O(9) atom to form distorted CdO6 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, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(17), and one O(19) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(21), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Cd(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(22), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Cd(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-64°. In the third P site, P(3) is bonded to one O(15), one O(23), one O(3), and one O(7) 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 Cd(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(16), one O(24), one O(4), 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 Cd(1)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the fifth P site, P(5) is bonded to one O(10), one O(17), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-63°. In the sixth P site, P(6) is bonded to one O(11), one O(12), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(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 Na(3), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mn(2), one Cd(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), one Cd(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Mn(1), one Cd(1), and one P(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Mn(2), one Cd(1), and one P(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(2), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Cd(1), one Cd(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Cd(1), one Cd(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Cd(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Cd(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Fe(1), one Cd(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(4), one Fe(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cd(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Na(4), one Mn(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(2), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one P(4) atom. is represented by the CIF card [CIF]
data_Na2MnCdFe(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   8.856
_cell_length_c   8.909
_cell_angle_alpha   92.356
_cell_angle_beta   106.806
_cell_angle_gamma   106.203
_symmetry_Int_Tables_number   1
_cell_volume   477.498
_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
  Na  Na0  1  0.751  0.022  0.978  1.0
  Na  Na1  1  0.249  0.978  0.023  1.0
  Na  Na2  1  0.745  0.732  0.267  1.0
  Na  Na3  1  0.504  0.504  0.495  1.0
  Mn  Mn4  1  0.357  0.931  0.620  1.0
  Mn  Mn5  1  0.145  0.378  0.071  1.0
  Cd  Cd6  1  0.252  0.268  0.732  1.0
  Cd  Cd7  1  0.994  0.507  0.495  1.0
  Fe  Fe8  1  0.640  0.061  0.383  1.0
  Fe  Fe9  1  0.860  0.618  0.937  1.0
  P  P10  1  0.365  0.656  0.866  1.0
  P  P11  1  0.128  0.134  0.346  1.0
  P  P12  1  0.635  0.340  0.136  1.0
  P  P13  1  0.873  0.864  0.659  1.0
  P  P14  1  0.753  0.285  0.718  1.0
  P  P15  1  0.248  0.721  0.276  1.0
  O  O16  1  0.398  0.831  0.838  1.0
  O  O17  1  0.099  0.160  0.171  1.0
  O  O18  1  0.626  0.168  0.180  1.0
  O  O19  1  0.876  0.821  0.830  1.0
  O  O20  1  0.588  0.644  0.977  1.0
  O  O21  1  0.906  0.016  0.352  1.0
  O  O22  1  0.408  0.323  0.012  1.0
  O  O23  1  0.098  0.992  0.681  1.0
  O  O24  1  0.546  0.171  0.744  1.0
  O  O25  1  0.960  0.255  0.830  1.0
  O  O26  1  0.454  0.851  0.261  1.0
  O  O27  1  0.040  0.739  0.149  1.0
  O  O28  1  0.301  0.542  0.707  1.0
  O  O29  1  0.181  0.291  0.457  1.0
  O  O30  1  0.683  0.454  0.286  1.0
  O  O31  1  0.836  0.715  0.548  1.0
  O  O32  1  0.760  0.262  0.543  1.0
  O  O33  1  0.746  0.459  0.742  1.0
  O  O34  1  0.209  0.738  0.439  1.0
  O  O35  1  0.287  0.559  0.260  1.0
  O  O36  1  0.178  0.601  0.941  1.0
  O  O37  1  0.322  0.063  0.405  1.0
  O  O38  1  0.819  0.405  0.057  1.0
  O  O39  1  0.683  0.939  0.590  1.0
[/CIF]
.