The compound described by Li4C4Sb2SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(27), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Sb(4)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one S(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(16), one O(22), one O(24), one O(26), and one O(4) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(14), one O(26), one O(27), and one O(32) atom. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(7)O5 trigonal bipyramid and  an edgeedge with one S(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(10), one O(21), one O(22), one O(31), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(17), one O(21), one O(26), one O(28), and one O(29) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(20), one O(25), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sb(4)O5 square pyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 83°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(30), one O(31), and one O(6) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(16), one O(19), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(15), and one O(20) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(25), one O(29), and one O(31) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(28), one O(30), and one O(32) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(10), one O(24), one O(29), and one O(5) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(2), one O(23), one O(3), one O(30), one O(31), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(17), one O(19), one O(25), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(13), one O(16), one O(18), and one O(32) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 73°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(12), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Li(4)O5 trigonal bipyramid and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the second S site, S(2) is bonded to one O(21), one O(22), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Li(1)O6 octahedra and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7), one C(1), and one Sb(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one C(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one C(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one C(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(7), one Li(8), and one S(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(4), one Li(7), and one S(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one C(2) and one Sb(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one C(3), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(5), one C(4), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Li(8) and one S(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Li(4) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one C(5) and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one C(6), and one Sb(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(4), one C(4), and one Sb(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Li(8), one C(3), and one Sb(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Li(6), one C(5), and one Sb(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one C(6), and one Sb(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one C(3) and one Sb(3) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(1), one Li(7), and one C(4) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one S(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(2), one Li(5), and one S(2) atom to form corner-sharing OLi3S trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one C(6) and one Sb(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one C(5), and one Sb(1) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(7), one C(7), and one Sb(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(6), and one S(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(2) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one C(8) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Li(6), one C(7), and one Sb(1) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one Li(8), one C(8), and one Sb(2) atom. In the thirty-first O site, O(31) is bonded to one Li(5), one Li(8), one C(7), and one Sb(2) atom to form distorted corner-sharing OLi2SbC trigonal pyramids. In the thirty-second O site, O(32) is bonded in a trigonal non-coplanar geometry to one Li(3), one C(8), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Sb2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.580
_cell_length_b   9.702
_cell_length_c   9.813
_cell_angle_alpha   115.582
_cell_angle_beta   116.772
_cell_angle_gamma   94.167
_symmetry_Int_Tables_number   1
_cell_volume   692.917
_cell_formula_units_Z   2
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  0.825  0.070  0.750  1.0
  Li  Li1  1  0.853  0.080  0.141  1.0
  Li  Li2  1  0.432  0.064  0.778  1.0
  Li  Li3  1  0.545  0.269  0.194  1.0
  Li  Li4  1  0.832  0.701  0.772  1.0
  Li  Li5  1  0.404  0.626  0.664  1.0
  Li  Li6  1  0.559  0.939  0.267  1.0
  Li  Li7  1  0.199  0.909  0.235  1.0
  Sb  Sb8  1  0.991  0.511  0.498  1.0
  Sb  Sb9  1  0.987  0.490  0.988  1.0
  Sb  Sb10  1  0.508  0.508  0.019  1.0
  Sb  Sb11  1  0.024  0.991  0.507  1.0
  C  C12  1  0.838  0.274  0.576  1.0
  C  C13  1  0.758  0.310  0.053  1.0
  C  C14  1  0.798  0.744  0.067  1.0
  C  C15  1  0.742  0.698  0.437  1.0
  C  C16  1  0.224  0.304  0.569  1.0
  C  C17  1  0.210  0.246  0.909  1.0
  C  C18  1  0.215  0.677  0.919  1.0
  C  C19  1  0.200  0.762  0.457  1.0
  S  S20  1  0.386  0.128  0.266  1.0
  S  S21  1  0.632  0.884  0.771  1.0
  O  O22  1  0.816  0.137  0.454  1.0
  O  O23  1  0.887  0.306  0.040  1.0
  O  O24  1  0.842  0.288  0.717  1.0
  O  O25  1  0.736  0.262  0.146  1.0
  O  O26  1  0.856  0.406  0.570  1.0
  O  O27  1  0.441  0.061  0.388  1.0
  O  O28  1  0.451  0.056  0.145  1.0
  O  O29  1  0.651  0.363  0.962  1.0
  O  O30  1  0.802  0.629  0.936  1.0
  O  O31  1  0.857  0.690  0.570  1.0
  O  O32  1  0.202  0.070  0.165  1.0
  O  O33  1  0.459  0.306  0.359  1.0
  O  O34  1  0.222  0.175  0.588  1.0
  O  O35  1  0.353  0.233  0.950  1.0
  O  O36  1  0.658  0.555  0.281  1.0
  O  O37  1  0.899  0.889  0.163  1.0
  O  O38  1  0.361  0.416  0.662  1.0
  O  O39  1  0.073  0.122  0.770  1.0
  O  O40  1  0.688  0.713  0.103  1.0
  O  O41  1  0.720  0.828  0.453  1.0
  O  O42  1  0.593  0.709  0.650  1.0
  O  O43  1  0.818  0.958  0.888  1.0
  O  O44  1  0.196  0.383  0.998  1.0
  O  O45  1  0.083  0.304  0.456  1.0
  O  O46  1  0.359  0.720  0.052  1.0
  O  O47  1  0.557  0.902  0.880  1.0
  O  O48  1  0.571  0.974  0.678  1.0
  O  O49  1  0.229  0.641  0.468  1.0
  O  O50  1  0.196  0.634  0.761  1.0
  O  O51  1  0.146  0.769  0.314  1.0
  O  O52  1  0.084  0.672  0.930  1.0
  O  O53  1  0.214  0.892  0.600  1.0
[/CIF]
.
The compound described by Li4C4Sb2SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(27), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Sb(4)O5 square pyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one S(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(16), one O(22), one O(24), one O(26), and one O(4) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(14), one O(26), one O(27), and one O(32) atom. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(7)O5 trigonal bipyramid and  an edgeedge with one S(1)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(10), one O(21), one O(22), one O(31), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one O(17), one O(21), one O(26), one O(28), and one O(29) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(20), one O(25), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sb(4)O5 square pyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 83°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(30), one O(31), and one O(6) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(16), one O(19), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(15), and one O(20) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(25), one O(29), and one O(31) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(28), one O(30), and one O(32) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(10), one O(24), one O(29), and one O(5) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(2), one O(23), one O(3), one O(30), one O(31), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(17), one O(19), one O(25), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(13), one O(16), one O(18), and one O(32) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 73°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(12), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Li(4)O5 trigonal bipyramid and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the second S site, S(2) is bonded to one O(21), one O(22), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Li(1)O6 octahedra and  an edgeedge with one Li(5)O5 trigonal bipyramid. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7), one C(1), and one Sb(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one C(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one C(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one C(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(7), one Li(8), and one S(1) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(4), one Li(7), and one S(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one C(2) and one Sb(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(5), one C(3), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(5), one C(4), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Li(8) and one S(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Li(4) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one C(5) and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one C(6), and one Sb(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(4), one C(4), and one Sb(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Li(8), one C(3), and one Sb(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Li(6), one C(5), and one Sb(3) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one C(6), and one Sb(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one C(3) and one Sb(3) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Li(1), one Li(7), and one C(4) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(5), one Li(6), and one S(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(2), one Li(5), and one S(2) atom to form corner-sharing OLi3S trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one C(6) and one Sb(2) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one C(5), and one Sb(1) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(7), one C(7), and one Sb(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(6), and one S(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(2) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 120 degrees geometry to one Li(6) and one C(8) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Li(6), one C(7), and one Sb(1) atom. In the thirtieth O site, O(30) is bonded in a distorted bent 150 degrees geometry to one Li(8), one C(8), and one Sb(2) atom. In the thirty-first O site, O(31) is bonded to one Li(5), one Li(8), one C(7), and one Sb(2) atom to form distorted corner-sharing OLi2SbC trigonal pyramids. In the thirty-second O site, O(32) is bonded in a trigonal non-coplanar geometry to one Li(3), one C(8), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Sb2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.580
_cell_length_b   9.702
_cell_length_c   9.813
_cell_angle_alpha   115.582
_cell_angle_beta   116.772
_cell_angle_gamma   94.167
_symmetry_Int_Tables_number   1
_cell_volume   692.917
_cell_formula_units_Z   2
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  0.825  0.070  0.750  1.0
  Li  Li1  1  0.853  0.080  0.141  1.0
  Li  Li2  1  0.432  0.064  0.778  1.0
  Li  Li3  1  0.545  0.269  0.194  1.0
  Li  Li4  1  0.832  0.701  0.772  1.0
  Li  Li5  1  0.404  0.626  0.664  1.0
  Li  Li6  1  0.559  0.939  0.267  1.0
  Li  Li7  1  0.199  0.909  0.235  1.0
  Sb  Sb8  1  0.991  0.511  0.498  1.0
  Sb  Sb9  1  0.987  0.490  0.988  1.0
  Sb  Sb10  1  0.508  0.508  0.019  1.0
  Sb  Sb11  1  0.024  0.991  0.507  1.0
  C  C12  1  0.838  0.274  0.576  1.0
  C  C13  1  0.758  0.310  0.053  1.0
  C  C14  1  0.798  0.744  0.067  1.0
  C  C15  1  0.742  0.698  0.437  1.0
  C  C16  1  0.224  0.304  0.569  1.0
  C  C17  1  0.210  0.246  0.909  1.0
  C  C18  1  0.215  0.677  0.919  1.0
  C  C19  1  0.200  0.762  0.457  1.0
  S  S20  1  0.386  0.128  0.266  1.0
  S  S21  1  0.632  0.884  0.771  1.0
  O  O22  1  0.816  0.137  0.454  1.0
  O  O23  1  0.887  0.306  0.040  1.0
  O  O24  1  0.842  0.288  0.717  1.0
  O  O25  1  0.736  0.262  0.146  1.0
  O  O26  1  0.856  0.406  0.570  1.0
  O  O27  1  0.441  0.061  0.388  1.0
  O  O28  1  0.451  0.056  0.145  1.0
  O  O29  1  0.651  0.363  0.962  1.0
  O  O30  1  0.802  0.629  0.936  1.0
  O  O31  1  0.857  0.690  0.570  1.0
  O  O32  1  0.202  0.070  0.165  1.0
  O  O33  1  0.459  0.306  0.359  1.0
  O  O34  1  0.222  0.175  0.588  1.0
  O  O35  1  0.353  0.233  0.950  1.0
  O  O36  1  0.658  0.555  0.281  1.0
  O  O37  1  0.899  0.889  0.163  1.0
  O  O38  1  0.361  0.416  0.662  1.0
  O  O39  1  0.073  0.122  0.770  1.0
  O  O40  1  0.688  0.713  0.103  1.0
  O  O41  1  0.720  0.828  0.453  1.0
  O  O42  1  0.593  0.709  0.650  1.0
  O  O43  1  0.818  0.958  0.888  1.0
  O  O44  1  0.196  0.383  0.998  1.0
  O  O45  1  0.083  0.304  0.456  1.0
  O  O46  1  0.359  0.720  0.052  1.0
  O  O47  1  0.557  0.902  0.880  1.0
  O  O48  1  0.571  0.974  0.678  1.0
  O  O49  1  0.229  0.641  0.468  1.0
  O  O50  1  0.196  0.634  0.761  1.0
  O  O51  1  0.146  0.769  0.314  1.0
  O  O52  1  0.084  0.672  0.930  1.0
  O  O53  1  0.214  0.892  0.600  1.0
[/CIF]
.