The structure described by Li5Fe5Si7O24 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(18), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(17), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(16), one O(2), and one O(24) atom. In the fourth Li site, Li(4) is bonded in a distorted bent 150 degrees geometry to one O(13) and one O(21) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(23), one O(24), and one O(6) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(24), one O(3), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Fe(4)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(13), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(16), and one O(20) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourth Fe site, Fe(4) is bonded to one O(17), one O(21), one O(23), and one O(24) atom to form distorted FeO4 trigonal pyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(18), one O(22), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 trigonal pyramid. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(20), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Si(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(17), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fifth Si site, Si(5) is bonded to one O(15), one O(16), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(14), one O(15), and one O(19) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the seventh Si site, Si(7) is bonded to one O(19), one O(21), one O(22), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 trigonal pyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(5) and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Si(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Si(3) and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(3), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Fe(4), and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(5), and one Si(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one Si(1) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Fe(4), and one Si(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one Si(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(4), and one Fe(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(5), one Fe(1), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Fe5Si7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.853
_cell_length_b   7.955
_cell_length_c   9.780
_cell_angle_alpha   91.087
_cell_angle_beta   91.460
_cell_angle_gamma   90.535
_symmetry_Int_Tables_number   1
_cell_volume   610.604
_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  0.432  0.305  0.750  1.0
  Li  Li1  1  0.492  0.820  0.207  1.0
  Li  Li2  1  0.822  0.475  0.284  1.0
  Li  Li3  1  0.727  0.996  0.993  1.0
  Li  Li4  1  0.012  0.337  0.029  1.0
  Fe  Fe5  1  0.121  0.668  0.232  1.0
  Fe  Fe6  1  0.376  0.169  0.016  1.0
  Fe  Fe7  1  0.661  0.120  0.290  1.0
  Fe  Fe8  1  0.833  0.623  0.974  1.0
  Fe  Fe9  1  0.872  0.325  0.714  1.0
  Si  Si10  1  0.079  0.096  0.243  1.0
  Si  Si11  1  0.162  0.373  0.469  1.0
  Si  Si12  1  0.330  0.875  0.767  1.0
  Si  Si13  1  0.421  0.594  0.994  1.0
  Si  Si14  1  0.565  0.431  0.503  1.0
  Si  Si15  1  0.620  0.825  0.539  1.0
  Si  Si16  1  0.927  0.916  0.752  1.0
  O  O17  1  0.053  0.357  0.604  1.0
  O  O18  1  0.093  0.532  0.383  1.0
  O  O19  1  0.111  0.898  0.264  1.0
  O  O20  1  0.154  0.198  0.378  1.0
  O  O21  1  0.128  0.875  0.719  1.0
  O  O22  1  0.168  0.173  0.105  1.0
  O  O23  1  0.322  0.648  0.133  1.0
  O  O24  1  0.362  0.397  0.523  1.0
  O  O25  1  0.360  0.709  0.863  1.0
  O  O26  1  0.403  0.394  0.947  1.0
  O  O27  1  0.384  0.055  0.844  1.0
  O  O28  1  0.455  0.859  0.635  1.0
  O  O29  1  0.540  0.053  0.124  1.0
  O  O30  1  0.608  0.937  0.401  1.0
  O  O31  1  0.610  0.630  0.479  1.0
  O  O32  1  0.640  0.340  0.365  1.0
  O  O33  1  0.614  0.650  0.044  1.0
  O  O34  1  0.644  0.361  0.646  1.0
  O  O35  1  0.803  0.849  0.622  1.0
  O  O36  1  0.876  0.139  0.211  1.0
  O  O37  1  0.867  0.832  0.896  1.0
  O  O38  1  0.889  0.111  0.787  1.0
  O  O39  1  0.908  0.441  0.877  1.0
  O  O40  1  0.946  0.553  0.136  1.0
[/CIF]
.
The structure described by Li5Fe5Si7O24 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(18), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(17), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid,  an edgeedge with one Fe(3)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(16), one O(2), and one O(24) atom. In the fourth Li site, Li(4) is bonded in a distorted bent 150 degrees geometry to one O(13) and one O(21) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(23), one O(24), and one O(6) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(24), one O(3), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Fe(4)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(13), and one O(6) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the third Fe site, Fe(3) is bonded to one O(13), one O(14), one O(16), and one O(20) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourth Fe site, Fe(4) is bonded to one O(17), one O(21), one O(23), and one O(24) atom to form distorted FeO4 trigonal pyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(18), one O(22), and one O(23) atom to form FeO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 trigonal pyramid. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(20), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Fe(3)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(5)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Si(7)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(17), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fifth Si site, Si(5) is bonded to one O(15), one O(16), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(14), one O(15), and one O(19) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the seventh Si site, Si(7) is bonded to one O(19), one O(21), one O(22), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and  a cornercorner with one Fe(4)O4 trigonal pyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(5) and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(1), and one Si(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Si(2), and one Si(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Si(3) and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(5) and one Si(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(3), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Li(2), one Fe(4), and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(5), and one Si(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one Si(1) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Fe(4), and one Si(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Fe(5) and one Si(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(4), and one Fe(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(5), one Fe(1), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Fe5Si7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.853
_cell_length_b   7.955
_cell_length_c   9.780
_cell_angle_alpha   91.087
_cell_angle_beta   91.460
_cell_angle_gamma   90.535
_symmetry_Int_Tables_number   1
_cell_volume   610.604
_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  0.432  0.305  0.750  1.0
  Li  Li1  1  0.492  0.820  0.207  1.0
  Li  Li2  1  0.822  0.475  0.284  1.0
  Li  Li3  1  0.727  0.996  0.993  1.0
  Li  Li4  1  0.012  0.337  0.029  1.0
  Fe  Fe5  1  0.121  0.668  0.232  1.0
  Fe  Fe6  1  0.376  0.169  0.016  1.0
  Fe  Fe7  1  0.661  0.120  0.290  1.0
  Fe  Fe8  1  0.833  0.623  0.974  1.0
  Fe  Fe9  1  0.872  0.325  0.714  1.0
  Si  Si10  1  0.079  0.096  0.243  1.0
  Si  Si11  1  0.162  0.373  0.469  1.0
  Si  Si12  1  0.330  0.875  0.767  1.0
  Si  Si13  1  0.421  0.594  0.994  1.0
  Si  Si14  1  0.565  0.431  0.503  1.0
  Si  Si15  1  0.620  0.825  0.539  1.0
  Si  Si16  1  0.927  0.916  0.752  1.0
  O  O17  1  0.053  0.357  0.604  1.0
  O  O18  1  0.093  0.532  0.383  1.0
  O  O19  1  0.111  0.898  0.264  1.0
  O  O20  1  0.154  0.198  0.378  1.0
  O  O21  1  0.128  0.875  0.719  1.0
  O  O22  1  0.168  0.173  0.105  1.0
  O  O23  1  0.322  0.648  0.133  1.0
  O  O24  1  0.362  0.397  0.523  1.0
  O  O25  1  0.360  0.709  0.863  1.0
  O  O26  1  0.403  0.394  0.947  1.0
  O  O27  1  0.384  0.055  0.844  1.0
  O  O28  1  0.455  0.859  0.635  1.0
  O  O29  1  0.540  0.053  0.124  1.0
  O  O30  1  0.608  0.937  0.401  1.0
  O  O31  1  0.610  0.630  0.479  1.0
  O  O32  1  0.640  0.340  0.365  1.0
  O  O33  1  0.614  0.650  0.044  1.0
  O  O34  1  0.644  0.361  0.646  1.0
  O  O35  1  0.803  0.849  0.622  1.0
  O  O36  1  0.876  0.139  0.211  1.0
  O  O37  1  0.867  0.832  0.896  1.0
  O  O38  1  0.889  0.111  0.787  1.0
  O  O39  1  0.908  0.441  0.877  1.0
  O  O40  1  0.946  0.553  0.136  1.0
[/CIF]
.