The material described by NaLiMn2Fe4(PO4)6 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(17), one O(18), one O(7), and one O(8) atom. Li(1) is bonded in a distorted square co-planar geometry to one O(19), one O(22), one O(3), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(15), one O(16), one O(21), and one O(7) atom to form distorted 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 Fe(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(18), one O(24), one O(4), and one O(9) atom to form distorted 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 Fe(4)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(20), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)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, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(23), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  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(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(13), one O(16), one O(19), one O(2), one O(21), and one O(23) atom to form FeO6 octahedra that share  a cornercorner with one P(1)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, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(17), one O(20), one O(22), one O(24), and one O(5) atom to form FeO6 octahedra that share  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(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) 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(3)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(5), 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 Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(8), 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,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(16), and one O(17) 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,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the fifth P site, P(5) is bonded to one O(14), one O(19), one O(20), and one O(24) 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(3)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(22), and one O(23) 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(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(4), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(4), and one P(5) atom. is represented by the CIF file [CIF]
data_NaLiMn2Fe4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   8.685
_cell_length_c   8.755
_cell_angle_alpha   92.721
_cell_angle_beta   106.699
_cell_angle_gamma   106.282
_symmetry_Int_Tables_number   1
_cell_volume   448.001
_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
  Na  Na0  1  0.001  0.498  0.501  1.0
  Li  Li1  1  0.754  0.011  0.990  1.0
  Mn  Mn2  1  0.253  0.270  0.730  1.0
  Mn  Mn3  1  0.746  0.723  0.277  1.0
  Fe  Fe4  1  0.365  0.935  0.622  1.0
  Fe  Fe5  1  0.872  0.630  0.933  1.0
  Fe  Fe6  1  0.136  0.376  0.068  1.0
  Fe  Fe7  1  0.627  0.066  0.372  1.0
  P  P8  1  0.375  0.657  0.869  1.0
  P  P9  1  0.870  0.866  0.651  1.0
  P  P10  1  0.249  0.713  0.285  1.0
  P  P11  1  0.751  0.287  0.715  1.0
  P  P12  1  0.121  0.133  0.346  1.0
  P  P13  1  0.634  0.347  0.131  1.0
  O  O14  1  0.103  0.995  0.666  1.0
  O  O15  1  0.187  0.610  0.955  1.0
  O  O16  1  0.405  0.830  0.820  1.0
  O  O17  1  0.607  0.669  0.998  1.0
  O  O18  1  0.679  0.950  0.595  1.0
  O  O19  1  0.875  0.823  0.822  1.0
  O  O20  1  0.310  0.525  0.727  1.0
  O  O21  1  0.237  0.742  0.459  1.0
  O  O22  1  0.030  0.737  0.169  1.0
  O  O23  1  0.467  0.830  0.264  1.0
  O  O24  1  0.827  0.721  0.529  1.0
  O  O25  1  0.746  0.462  0.743  1.0
  O  O26  1  0.257  0.538  0.259  1.0
  O  O27  1  0.168  0.275  0.472  1.0
  O  O28  1  0.535  0.167  0.740  1.0
  O  O29  1  0.966  0.257  0.834  1.0
  O  O30  1  0.760  0.257  0.542  1.0
  O  O31  1  0.694  0.473  0.277  1.0
  O  O32  1  0.094  0.178  0.172  1.0
  O  O33  1  0.316  0.052  0.398  1.0
  O  O34  1  0.399  0.336  0.008  1.0
  O  O35  1  0.626  0.176  0.179  1.0
  O  O36  1  0.818  0.399  0.043  1.0
  O  O37  1  0.890  0.999  0.329  1.0
[/CIF]
.
The material described by NaLiMn2Fe4(PO4)6 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(17), one O(18), one O(7), and one O(8) atom. Li(1) is bonded in a distorted square co-planar geometry to one O(19), one O(22), one O(3), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(15), one O(16), one O(21), and one O(7) atom to form distorted 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 Fe(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(18), one O(24), one O(4), and one O(9) atom to form distorted 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 Fe(4)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(20), one O(3), one O(5), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)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, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(23), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  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(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(13), one O(16), one O(19), one O(2), one O(21), and one O(23) atom to form FeO6 octahedra that share  a cornercorner with one P(1)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, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(17), one O(20), one O(22), one O(24), and one O(5) atom to form FeO6 octahedra that share  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(6)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) 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(3)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(5), 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 Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(8), 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,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(16), and one O(17) 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,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the fifth P site, P(5) is bonded to one O(14), one O(19), one O(20), and one O(24) 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(3)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(22), and one O(23) 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(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Fe(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(4), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(2), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(3), and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Fe(4), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(4), and one P(5) atom. is represented by the CIF file [CIF]
data_NaLiMn2Fe4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.472
_cell_length_b   8.685
_cell_length_c   8.755
_cell_angle_alpha   92.721
_cell_angle_beta   106.699
_cell_angle_gamma   106.282
_symmetry_Int_Tables_number   1
_cell_volume   448.001
_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
  Na  Na0  1  0.001  0.498  0.501  1.0
  Li  Li1  1  0.754  0.011  0.990  1.0
  Mn  Mn2  1  0.253  0.270  0.730  1.0
  Mn  Mn3  1  0.746  0.723  0.277  1.0
  Fe  Fe4  1  0.365  0.935  0.622  1.0
  Fe  Fe5  1  0.872  0.630  0.933  1.0
  Fe  Fe6  1  0.136  0.376  0.068  1.0
  Fe  Fe7  1  0.627  0.066  0.372  1.0
  P  P8  1  0.375  0.657  0.869  1.0
  P  P9  1  0.870  0.866  0.651  1.0
  P  P10  1  0.249  0.713  0.285  1.0
  P  P11  1  0.751  0.287  0.715  1.0
  P  P12  1  0.121  0.133  0.346  1.0
  P  P13  1  0.634  0.347  0.131  1.0
  O  O14  1  0.103  0.995  0.666  1.0
  O  O15  1  0.187  0.610  0.955  1.0
  O  O16  1  0.405  0.830  0.820  1.0
  O  O17  1  0.607  0.669  0.998  1.0
  O  O18  1  0.679  0.950  0.595  1.0
  O  O19  1  0.875  0.823  0.822  1.0
  O  O20  1  0.310  0.525  0.727  1.0
  O  O21  1  0.237  0.742  0.459  1.0
  O  O22  1  0.030  0.737  0.169  1.0
  O  O23  1  0.467  0.830  0.264  1.0
  O  O24  1  0.827  0.721  0.529  1.0
  O  O25  1  0.746  0.462  0.743  1.0
  O  O26  1  0.257  0.538  0.259  1.0
  O  O27  1  0.168  0.275  0.472  1.0
  O  O28  1  0.535  0.167  0.740  1.0
  O  O29  1  0.966  0.257  0.834  1.0
  O  O30  1  0.760  0.257  0.542  1.0
  O  O31  1  0.694  0.473  0.277  1.0
  O  O32  1  0.094  0.178  0.172  1.0
  O  O33  1  0.316  0.052  0.398  1.0
  O  O34  1  0.399  0.336  0.008  1.0
  O  O35  1  0.626  0.176  0.179  1.0
  O  O36  1  0.818  0.399  0.043  1.0
  O  O37  1  0.890  0.999  0.329  1.0
[/CIF]
.