The material structure described by Li6Cr3Mn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. Mn(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the sixth P site, P(6) is bonded to one O(1), one O(19), 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(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Mn(1), and one P(4) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(20)Li3CrP trigonal bipyramid,  a cornercorner with one O(14)Li2CrP trigonal pyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Cr(1), and one P(3) atom to form corner-sharing OLi2CrP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Mn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Cr(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one Cr(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(6), one Mn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(5), one Li(6), one Cr(3), and one P(6) atom to form a mixture of distorted corner and edge-sharing OLi3CrP trigonal bipyramids. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), and one P(6) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(20)Li3CrP trigonal bipyramid, and  a faceface with one O(11)Li3MnP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Cr(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6MnCr3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.485
_cell_length_b   8.509
_cell_length_c   8.632
_cell_angle_alpha   61.288
_cell_angle_beta   62.048
_cell_angle_gamma   62.038
_symmetry_Int_Tables_number   1
_cell_volume   458.330
_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  0.988  0.023  0.017  1.0
  Li  Li1  1  0.353  0.753  0.144  1.0
  Li  Li2  1  0.493  0.475  0.504  1.0
  Li  Li3  1  0.651  0.240  0.851  1.0
  Li  Li4  1  0.845  0.664  0.253  1.0
  Li  Li5  1  0.249  0.843  0.648  1.0
  Mn  Mn6  1  0.857  0.853  0.850  1.0
  Cr  Cr7  1  0.139  0.140  0.145  1.0
  Cr  Cr8  1  0.354  0.359  0.363  1.0
  Cr  Cr9  1  0.645  0.643  0.646  1.0
  P  P10  1  0.450  0.049  0.752  1.0
  P  P11  1  0.749  0.452  0.047  1.0
  P  P12  1  0.051  0.750  0.449  1.0
  P  P13  1  0.955  0.249  0.540  1.0
  P  P14  1  0.250  0.544  0.963  1.0
  P  P15  1  0.538  0.958  0.254  1.0
  O  O16  1  0.490  0.127  0.303  1.0
  O  O17  1  0.117  0.300  0.515  1.0
  O  O18  1  0.267  0.046  0.922  1.0
  O  O19  1  0.296  0.532  0.121  1.0
  O  O20  1  0.429  0.240  0.594  1.0
  O  O21  1  0.611  0.020  0.812  1.0
  O  O22  1  0.908  0.262  0.069  1.0
  O  O23  1  0.580  0.453  0.229  1.0
  O  O24  1  0.247  0.594  0.424  1.0
  O  O25  1  0.984  0.204  0.378  1.0
  O  O26  1  0.934  0.083  0.734  1.0
  O  O27  1  0.209  0.372  0.002  1.0
  O  O28  1  0.810  0.616  0.010  1.0
  O  O29  1  0.068  0.906  0.254  1.0
  O  O30  1  0.029  0.811  0.599  1.0
  O  O31  1  0.759  0.407  0.571  1.0
  O  O32  1  0.410  0.567  0.770  1.0
  O  O33  1  0.087  0.736  0.931  1.0
  O  O34  1  0.382  0.970  0.201  1.0
  O  O35  1  0.562  0.764  0.418  1.0
  O  O36  1  0.693  0.481  0.887  1.0
  O  O37  1  0.733  0.940  0.100  1.0
  O  O38  1  0.891  0.686  0.485  1.0
  O  O39  1  0.489  0.886  0.693  1.0
[/CIF]
.
The material structure described by Li6Cr3Mn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(3), one O(4), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(11), one O(16), one O(17), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(13), one O(16), one O(18), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(17), one O(18), one O(20), and one O(24) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom to form CrO6 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, and  a cornercorner with one P(6)O4 tetrahedra. Mn(1) is bonded to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the sixth P site, P(6) is bonded to one O(1), one O(19), 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(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  a cornercorner with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cr(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Cr(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Mn(1), and one P(4) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(20)Li3CrP trigonal bipyramid,  a cornercorner with one O(14)Li2CrP trigonal pyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Cr(1), and one P(3) atom to form corner-sharing OLi2CrP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Mn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Cr(3), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one Cr(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(6), one Mn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Cr(1), and one P(6) atom. In the twentieth O site, O(20) is bonded to one Li(3), one Li(5), one Li(6), one Cr(3), and one P(6) atom to form a mixture of distorted corner and edge-sharing OLi3CrP trigonal bipyramids. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Cr(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), and one P(6) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2CrP trigonal pyramid,  an edgeedge with one O(20)Li3CrP trigonal bipyramid, and  a faceface with one O(11)Li3MnP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Cr(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Cr(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6MnCr3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.485
_cell_length_b   8.509
_cell_length_c   8.632
_cell_angle_alpha   61.288
_cell_angle_beta   62.048
_cell_angle_gamma   62.038
_symmetry_Int_Tables_number   1
_cell_volume   458.330
_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  0.988  0.023  0.017  1.0
  Li  Li1  1  0.353  0.753  0.144  1.0
  Li  Li2  1  0.493  0.475  0.504  1.0
  Li  Li3  1  0.651  0.240  0.851  1.0
  Li  Li4  1  0.845  0.664  0.253  1.0
  Li  Li5  1  0.249  0.843  0.648  1.0
  Mn  Mn6  1  0.857  0.853  0.850  1.0
  Cr  Cr7  1  0.139  0.140  0.145  1.0
  Cr  Cr8  1  0.354  0.359  0.363  1.0
  Cr  Cr9  1  0.645  0.643  0.646  1.0
  P  P10  1  0.450  0.049  0.752  1.0
  P  P11  1  0.749  0.452  0.047  1.0
  P  P12  1  0.051  0.750  0.449  1.0
  P  P13  1  0.955  0.249  0.540  1.0
  P  P14  1  0.250  0.544  0.963  1.0
  P  P15  1  0.538  0.958  0.254  1.0
  O  O16  1  0.490  0.127  0.303  1.0
  O  O17  1  0.117  0.300  0.515  1.0
  O  O18  1  0.267  0.046  0.922  1.0
  O  O19  1  0.296  0.532  0.121  1.0
  O  O20  1  0.429  0.240  0.594  1.0
  O  O21  1  0.611  0.020  0.812  1.0
  O  O22  1  0.908  0.262  0.069  1.0
  O  O23  1  0.580  0.453  0.229  1.0
  O  O24  1  0.247  0.594  0.424  1.0
  O  O25  1  0.984  0.204  0.378  1.0
  O  O26  1  0.934  0.083  0.734  1.0
  O  O27  1  0.209  0.372  0.002  1.0
  O  O28  1  0.810  0.616  0.010  1.0
  O  O29  1  0.068  0.906  0.254  1.0
  O  O30  1  0.029  0.811  0.599  1.0
  O  O31  1  0.759  0.407  0.571  1.0
  O  O32  1  0.410  0.567  0.770  1.0
  O  O33  1  0.087  0.736  0.931  1.0
  O  O34  1  0.382  0.970  0.201  1.0
  O  O35  1  0.562  0.764  0.418  1.0
  O  O36  1  0.693  0.481  0.887  1.0
  O  O37  1  0.733  0.940  0.100  1.0
  O  O38  1  0.891  0.686  0.485  1.0
  O  O39  1  0.489  0.886  0.693  1.0
[/CIF]
.