The material described by Li2CrP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(25), one O(4), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(2), one O(22), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(19), one O(26), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a T-shaped geometry to one O(16), one O(28), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(17), one O(23), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-74°. In the sixth Li site, Li(6) is bonded in a distorted T-shaped geometry to one O(1), one O(13), and one O(21) atom. In the seventh Li site, Li(7) is bonded in a distorted see-saw-like geometry to one O(22), one O(25), one O(27), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(20), one O(22), one O(25), and one O(4) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(18), one O(3), one O(5), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(27), one O(28), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(18), one O(2), one O(21), and one O(22) atom. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(17), one O(19), one O(20), one O(24), and one O(26) atom to form CrO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(13), one O(19), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(24), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the fifth P site, P(5) is bonded to one O(12), one O(15), one O(21), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the seventh P site, P(7) is bonded to one O(10), one O(16), one O(23), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the eighth P site, P(8) is bonded to one O(23), one O(25), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(6), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Cr(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Li(8), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(5), one P(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(7), one Cr(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Cr(1), and one P(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Cr(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(6), one Cr(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(5), one Cr(4), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cr(3), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Cr(4), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(8), one Cr(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Li(2), one Li(7), one Li(8), one Cr(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(5), one P(7), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Li(8), and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(4), and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(7), one Cr(2), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(8) atom. is represented by the CIF file [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   9.226
_cell_length_c   10.803
_cell_angle_alpha   112.678
_cell_angle_beta   89.954
_cell_angle_gamma   106.364
_symmetry_Int_Tables_number   1
_cell_volume   568.529
_cell_formula_units_Z   4
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  0.034  0.183  0.505  1.0
  Li  Li1  1  0.631  0.077  0.623  1.0
  Li  Li2  1  0.591  0.509  0.970  1.0
  Li  Li3  1  0.153  0.102  0.123  1.0
  Li  Li4  1  0.161  0.490  0.043  1.0
  Li  Li5  1  0.875  0.896  0.888  1.0
  Li  Li6  1  0.361  0.925  0.377  1.0
  Li  Li7  1  0.953  0.835  0.504  1.0
  Cr  Cr8  1  0.359  0.508  0.736  1.0
  Cr  Cr9  1  0.726  0.097  0.220  1.0
  Cr  Cr10  1  0.280  0.895  0.776  1.0
  Cr  Cr11  1  0.628  0.482  0.253  1.0
  P  P12  1  0.084  0.184  0.791  1.0
  P  P13  1  0.705  0.187  0.936  1.0
  P  P14  1  0.558  0.283  0.462  1.0
  P  P15  1  0.126  0.443  0.299  1.0
  P  P16  1  0.864  0.548  0.698  1.0
  P  P17  1  0.440  0.713  0.532  1.0
  P  P18  1  0.303  0.803  0.063  1.0
  P  P19  1  0.921  0.806  0.205  1.0
  O  O20  1  0.114  0.063  0.850  1.0
  O  O21  1  0.565  0.080  0.799  1.0
  O  O22  1  0.292  0.323  0.810  1.0
  O  O23  1  0.960  0.094  0.648  1.0
  O  O24  1  0.028  0.458  0.697  1.0
  O  O25  1  0.936  0.282  0.896  1.0
  O  O26  1  0.642  0.145  0.469  1.0
  O  O27  1  0.036  0.262  0.282  1.0
  O  O28  1  0.345  0.283  0.519  1.0
  O  O29  1  0.374  0.655  0.976  1.0
  O  O30  1  0.558  0.275  0.314  1.0
  O  O31  1  0.688  0.533  0.792  1.0
  O  O32  1  0.758  0.081  0.002  1.0
  O  O33  1  0.258  0.538  0.449  1.0
  O  O34  1  0.736  0.459  0.545  1.0
  O  O35  1  0.250  0.906  0.993  1.0
  O  O36  1  0.293  0.457  0.198  1.0
  O  O37  1  0.438  0.715  0.678  1.0
  O  O38  1  0.627  0.329  0.025  1.0
  O  O39  1  0.650  0.710  0.473  1.0
  O  O40  1  0.966  0.730  0.721  1.0
  O  O41  1  0.359  0.854  0.529  1.0
  O  O42  1  0.078  0.709  0.107  1.0
  O  O43  1  0.956  0.525  0.294  1.0
  O  O44  1  0.036  0.894  0.350  1.0
  O  O45  1  0.710  0.668  0.180  1.0
  O  O46  1  0.445  0.914  0.199  1.0
  O  O47  1  0.900  0.929  0.146  1.0
[/CIF]
.
The material described by Li2CrP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(25), one O(4), one O(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(2), one O(22), one O(4), and one O(7) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(19), one O(26), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a T-shaped geometry to one O(16), one O(28), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(17), one O(23), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-74°. In the sixth Li site, Li(6) is bonded in a distorted T-shaped geometry to one O(1), one O(13), and one O(21) atom. In the seventh Li site, Li(7) is bonded in a distorted see-saw-like geometry to one O(22), one O(25), one O(27), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(20), one O(22), one O(25), and one O(4) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(18), one O(3), one O(5), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(27), one O(28), one O(7), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(18), one O(2), one O(21), and one O(22) atom. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(17), one O(19), one O(20), one O(24), and one O(26) atom to form CrO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(13), one O(19), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(24), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the fifth P site, P(5) is bonded to one O(12), one O(15), one O(21), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(4)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the seventh P site, P(7) is bonded to one O(10), one O(16), one O(23), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the eighth P site, P(8) is bonded to one O(23), one O(25), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(6), one Cr(3), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Cr(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Li(8), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(5), one P(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(7), one Cr(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Cr(1), and one P(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Cr(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Cr(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(6), one Cr(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(5), one Cr(4), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cr(3), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Cr(4), and one P(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(8), one Cr(4), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(5) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Li(2), one Li(7), one Li(8), one Cr(3), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(5), one P(7), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Cr(4) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Li(8), and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(4), and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a trigonal planar geometry to one Li(7), one Cr(2), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one P(8) atom. is represented by the CIF file [CIF]
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   9.226
_cell_length_c   10.803
_cell_angle_alpha   112.678
_cell_angle_beta   89.954
_cell_angle_gamma   106.364
_symmetry_Int_Tables_number   1
_cell_volume   568.529
_cell_formula_units_Z   4
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  0.034  0.183  0.505  1.0
  Li  Li1  1  0.631  0.077  0.623  1.0
  Li  Li2  1  0.591  0.509  0.970  1.0
  Li  Li3  1  0.153  0.102  0.123  1.0
  Li  Li4  1  0.161  0.490  0.043  1.0
  Li  Li5  1  0.875  0.896  0.888  1.0
  Li  Li6  1  0.361  0.925  0.377  1.0
  Li  Li7  1  0.953  0.835  0.504  1.0
  Cr  Cr8  1  0.359  0.508  0.736  1.0
  Cr  Cr9  1  0.726  0.097  0.220  1.0
  Cr  Cr10  1  0.280  0.895  0.776  1.0
  Cr  Cr11  1  0.628  0.482  0.253  1.0
  P  P12  1  0.084  0.184  0.791  1.0
  P  P13  1  0.705  0.187  0.936  1.0
  P  P14  1  0.558  0.283  0.462  1.0
  P  P15  1  0.126  0.443  0.299  1.0
  P  P16  1  0.864  0.548  0.698  1.0
  P  P17  1  0.440  0.713  0.532  1.0
  P  P18  1  0.303  0.803  0.063  1.0
  P  P19  1  0.921  0.806  0.205  1.0
  O  O20  1  0.114  0.063  0.850  1.0
  O  O21  1  0.565  0.080  0.799  1.0
  O  O22  1  0.292  0.323  0.810  1.0
  O  O23  1  0.960  0.094  0.648  1.0
  O  O24  1  0.028  0.458  0.697  1.0
  O  O25  1  0.936  0.282  0.896  1.0
  O  O26  1  0.642  0.145  0.469  1.0
  O  O27  1  0.036  0.262  0.282  1.0
  O  O28  1  0.345  0.283  0.519  1.0
  O  O29  1  0.374  0.655  0.976  1.0
  O  O30  1  0.558  0.275  0.314  1.0
  O  O31  1  0.688  0.533  0.792  1.0
  O  O32  1  0.758  0.081  0.002  1.0
  O  O33  1  0.258  0.538  0.449  1.0
  O  O34  1  0.736  0.459  0.545  1.0
  O  O35  1  0.250  0.906  0.993  1.0
  O  O36  1  0.293  0.457  0.198  1.0
  O  O37  1  0.438  0.715  0.678  1.0
  O  O38  1  0.627  0.329  0.025  1.0
  O  O39  1  0.650  0.710  0.473  1.0
  O  O40  1  0.966  0.730  0.721  1.0
  O  O41  1  0.359  0.854  0.529  1.0
  O  O42  1  0.078  0.709  0.107  1.0
  O  O43  1  0.956  0.525  0.294  1.0
  O  O44  1  0.036  0.894  0.350  1.0
  O  O45  1  0.710  0.668  0.180  1.0
  O  O46  1  0.445  0.914  0.199  1.0
  O  O47  1  0.900  0.929  0.146  1.0
[/CIF]
.