The material structure described by Li6CrCo3(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 5-coordinate geometry to one O(11), one O(16), one O(17), one O(21), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(18), one O(20), and one O(24) atom. Cr(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 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. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 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 Co site, Co(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 CoO6 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 Co site, Co(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 distorted CoO6 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-46°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(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 Co(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 Co(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 Co(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 Cr(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 Co(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 Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Co(2), and one P(3) atom to form OLi2CoP trigonal pyramids that share  a cornercorner with one O(16)Li3CoP trigonal bipyramid,  a cornercorner with one O(17)Li3CoP trigonal bipyramid,  a cornercorner with one O(20)Li3CoP trigonal bipyramid, and  an edgeedge with one O(14)Li2CoP trigonal pyramid. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(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 Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Co(1), and one P(3) atom to form edge-sharing OLi2CoP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Co(3), and one P(4) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(17)Li3CoP trigonal bipyramid, and  a faceface with one O(20)Li3CoP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Co(3), and one P(5) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(16)Li3CoP trigonal bipyramid, and  a faceface with one O(20)Li3CoP trigonal bipyramid. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Cr(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 Co(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 Co(3), and one P(6) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(16)Li3CoP trigonal bipyramid, and  a faceface with one O(17)Li3CoP trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Cr(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Co(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 Co(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li6CrCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.454
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   61.984
_cell_angle_beta   62.232
_cell_angle_gamma   62.139
_symmetry_Int_Tables_number   1
_cell_volume   455.385
_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  0.975  0.002  0.991  1.0
  Li  Li1  1  0.251  0.654  0.847  1.0
  Li  Li2  1  0.525  0.507  0.494  1.0
  Li  Li3  1  0.729  0.351  0.160  1.0
  Li  Li4  1  0.347  0.164  0.727  1.0
  Li  Li5  1  0.164  0.728  0.349  1.0
  Cr  Cr6  1  0.143  0.144  0.144  1.0
  Co  Co7  1  0.855  0.863  0.853  1.0
  Co  Co8  1  0.646  0.647  0.639  1.0
  Co  Co9  1  0.352  0.350  0.349  1.0
  P  P10  1  0.951  0.549  0.247  1.0
  P  P11  1  0.548  0.250  0.951  1.0
  P  P12  1  0.249  0.954  0.546  1.0
  P  P13  1  0.750  0.043  0.459  1.0
  P  P14  1  0.457  0.750  0.040  1.0
  P  P15  1  0.045  0.462  0.751  1.0
  O  O16  1  0.871  0.502  0.708  1.0
  O  O17  1  0.695  0.882  0.491  1.0
  O  O18  1  0.952  0.733  0.079  1.0
  O  O19  1  0.468  0.704  0.881  1.0
  O  O20  1  0.763  0.567  0.408  1.0
  O  O21  1  0.985  0.385  0.192  1.0
  O  O22  1  0.739  0.094  0.930  1.0
  O  O23  1  0.545  0.422  0.770  1.0
  O  O24  1  0.407  0.761  0.567  1.0
  O  O25  1  0.815  0.005  0.616  1.0
  O  O26  1  0.904  0.074  0.261  1.0
  O  O27  1  0.625  0.803  0.994  1.0
  O  O28  1  0.384  0.190  0.990  1.0
  O  O29  1  0.095  0.932  0.741  1.0
  O  O30  1  0.189  0.990  0.386  1.0
  O  O31  1  0.585  0.233  0.447  1.0
  O  O32  1  0.450  0.583  0.229  1.0
  O  O33  1  0.261  0.905  0.079  1.0
  O  O34  1  0.028  0.618  0.806  1.0
  O  O35  1  0.232  0.445  0.582  1.0
  O  O36  1  0.522  0.305  0.115  1.0
  O  O37  1  0.073  0.265  0.905  1.0
  O  O38  1  0.309  0.114  0.518  1.0
  O  O39  1  0.116  0.518  0.307  1.0
[/CIF]
.
The material structure described by Li6CrCo3(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 5-coordinate geometry to one O(11), one O(16), one O(17), one O(21), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(13), one O(16), one O(20), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(18), one O(20), and one O(24) atom. Cr(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 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. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 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 Co site, Co(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 CoO6 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 Co site, Co(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 distorted CoO6 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-45°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-47°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-46°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(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 Co(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 Co(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 Co(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 Cr(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 Co(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 Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Co(2), and one P(3) atom to form OLi2CoP trigonal pyramids that share  a cornercorner with one O(16)Li3CoP trigonal bipyramid,  a cornercorner with one O(17)Li3CoP trigonal bipyramid,  a cornercorner with one O(20)Li3CoP trigonal bipyramid, and  an edgeedge with one O(14)Li2CoP trigonal pyramid. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(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 Cr(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Co(1), and one P(3) atom to form edge-sharing OLi2CoP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Cr(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Li(5), one Co(3), and one P(4) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(17)Li3CoP trigonal bipyramid, and  a faceface with one O(20)Li3CoP trigonal bipyramid. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(4), one Li(6), one Co(3), and one P(5) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(16)Li3CoP trigonal bipyramid, and  a faceface with one O(20)Li3CoP trigonal bipyramid. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Cr(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 Co(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 Co(3), and one P(6) atom to form distorted OLi3CoP trigonal bipyramids that share  a cornercorner with one O(9)Li2CoP trigonal pyramid,  a faceface with one O(16)Li3CoP trigonal bipyramid, and  a faceface with one O(17)Li3CoP trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Cr(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Co(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 Co(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li6CrCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.454
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   61.984
_cell_angle_beta   62.232
_cell_angle_gamma   62.139
_symmetry_Int_Tables_number   1
_cell_volume   455.385
_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  0.975  0.002  0.991  1.0
  Li  Li1  1  0.251  0.654  0.847  1.0
  Li  Li2  1  0.525  0.507  0.494  1.0
  Li  Li3  1  0.729  0.351  0.160  1.0
  Li  Li4  1  0.347  0.164  0.727  1.0
  Li  Li5  1  0.164  0.728  0.349  1.0
  Cr  Cr6  1  0.143  0.144  0.144  1.0
  Co  Co7  1  0.855  0.863  0.853  1.0
  Co  Co8  1  0.646  0.647  0.639  1.0
  Co  Co9  1  0.352  0.350  0.349  1.0
  P  P10  1  0.951  0.549  0.247  1.0
  P  P11  1  0.548  0.250  0.951  1.0
  P  P12  1  0.249  0.954  0.546  1.0
  P  P13  1  0.750  0.043  0.459  1.0
  P  P14  1  0.457  0.750  0.040  1.0
  P  P15  1  0.045  0.462  0.751  1.0
  O  O16  1  0.871  0.502  0.708  1.0
  O  O17  1  0.695  0.882  0.491  1.0
  O  O18  1  0.952  0.733  0.079  1.0
  O  O19  1  0.468  0.704  0.881  1.0
  O  O20  1  0.763  0.567  0.408  1.0
  O  O21  1  0.985  0.385  0.192  1.0
  O  O22  1  0.739  0.094  0.930  1.0
  O  O23  1  0.545  0.422  0.770  1.0
  O  O24  1  0.407  0.761  0.567  1.0
  O  O25  1  0.815  0.005  0.616  1.0
  O  O26  1  0.904  0.074  0.261  1.0
  O  O27  1  0.625  0.803  0.994  1.0
  O  O28  1  0.384  0.190  0.990  1.0
  O  O29  1  0.095  0.932  0.741  1.0
  O  O30  1  0.189  0.990  0.386  1.0
  O  O31  1  0.585  0.233  0.447  1.0
  O  O32  1  0.450  0.583  0.229  1.0
  O  O33  1  0.261  0.905  0.079  1.0
  O  O34  1  0.028  0.618  0.806  1.0
  O  O35  1  0.232  0.445  0.582  1.0
  O  O36  1  0.522  0.305  0.115  1.0
  O  O37  1  0.073  0.265  0.905  1.0
  O  O38  1  0.309  0.114  0.518  1.0
  O  O39  1  0.116  0.518  0.307  1.0
[/CIF]
.