The material structure described by K2OsO5 crystallizes in the triclinic P1 space group. There are twelve inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(18), one O(2), one O(23), one O(3), and one O(4) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(17), one O(25), one O(27), one O(28), one O(4), one O(6), one O(7), and one O(9) atom. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(4), one O(5), and one O(8) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(8) atom. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(16), one O(17), one O(22), one O(3), one O(30), one O(6), and one O(9) atom. In the sixth K site, K(6) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(14), one O(18), one O(19), one O(20), one O(21), and one O(6) atom. In the seventh K site, K(7) is bonded to one O(1), one O(11), one O(15), one O(16), one O(17), one O(19), and one O(24) atom to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Os(3)O5 trigonal bipyramid, corners with two equivalent Os(4)O5 trigonal bipyramids,  an edgeedge with one K(12)O8 hexagonal bipyramid,  an edgeedge with one Os(5)O5 trigonal bipyramid, and  an edgeedge with one Os(6)O5 trigonal bipyramid. In the eighth K site, K(8) is bonded in a 8-coordinate geometry to one O(14), one O(20), one O(21), one O(23), one O(24), one O(25), one O(28), and one O(29) atom. In the ninth K site, K(9) is bonded in a 9-coordinate geometry to one O(18), one O(19), one O(20), one O(21), one O(24), one O(25), one O(26), one O(27), and one O(29) atom. In the tenth K site, K(10) is bonded in a 8-coordinate geometry to one O(2), one O(21), one O(22), one O(27), one O(28), one O(29), one O(3), and one O(5) atom. In the eleventh K site, K(11) is bonded in a 7-coordinate geometry to one O(15), one O(20), one O(23), one O(26), one O(29), one O(30), and one O(8) atom. In the twelfth K site, K(12) is bonded to one O(1), one O(13), one O(17), one O(2), one O(22), one O(30), one O(7), and one O(9) atom to form distorted KO8 hexagonal bipyramids that share  a cornercorner with one Os(3)O5 trigonal bipyramid,  a cornercorner with one Os(4)O5 trigonal bipyramid,  a cornercorner with one Os(5)O5 trigonal bipyramid,  a cornercorner with one Os(6)O5 trigonal bipyramid,  an edgeedge with one K(7)O7 pentagonal bipyramid,  an edgeedge with one Os(1)O5 trigonal bipyramid, and  an edgeedge with one Os(2)O5 trigonal bipyramid. There are six inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(13), one O(2), one O(20), one O(3), and one O(8) atom to form OsO5 trigonal bipyramids that share  an edgeedge with one K(12)O8 hexagonal bipyramid. In the second Os site, Os(2) is bonded to one O(29), one O(30), one O(5), one O(6), and one O(7) atom to form OsO5 trigonal bipyramids that share  an edgeedge with one K(12)O8 hexagonal bipyramid. In the third Os site, Os(3) is bonded to one O(10), one O(14), one O(18), one O(19), and one O(9) atom to form distorted OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  a cornercorner with one K(7)O7 pentagonal bipyramid. In the fourth Os site, Os(4) is bonded to one O(12), one O(15), one O(16), one O(21), and one O(22) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and corners with two equivalent K(7)O7 pentagonal bipyramids. In the fifth Os site, Os(5) is bonded to one O(1), one O(24), one O(27), one O(28), and one O(4) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  an edgeedge with one K(7)O7 pentagonal bipyramid. In the sixth Os site, Os(6) is bonded to one O(11), one O(17), one O(23), one O(25), and one O(26) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  an edgeedge with one K(7)O7 pentagonal bipyramid. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(12), one K(5), one K(7), and one Os(5) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(10), one K(12), and one Os(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), one K(10), one K(4), one K(5), and one Os(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one Os(5) atom. In the fifth O site, O(5) is bonded to one K(10), one K(3), one K(4), and one Os(2) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(2), one K(5), one K(6), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(12), one K(2), and one Os(2) atom. In the eighth O site, O(8) is bonded to one K(11), one K(3), one K(4), and one Os(1) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one K(12), one K(2), one K(5), and one Os(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Os(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(4), one K(7), and one Os(6) atom. In the twelfth O site, O(12) is bonded to one K(3), one K(4), one K(6), and one Os(4) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the thirteenth O site, O(13) is bonded to one K(12), one K(5), one K(6), and one Os(1) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(6), one K(8), and one Os(3) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one K(11), one K(7), and one Os(4) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one K(5), one K(7), and one Os(4) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one K(12), one K(2), one K(5), one K(7), and one Os(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one K(1), one K(6), one K(9), and one Os(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(6), one K(7), one K(9), and one Os(3) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one K(11), one K(6), one K(8), one K(9), and one Os(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one K(10), one K(6), one K(8), one K(9), and one Os(4) atom. In the twenty-second O site, O(22) is bonded to one K(10), one K(12), one K(5), and one Os(4) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one K(1), one K(11), one K(8), and one Os(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted tetrahedral geometry to one K(7), one K(8), one K(9), and one Os(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one K(2), one K(8), one K(9), and one Os(6) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one K(11), one K(9), and one Os(6) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one K(10), one K(2), one K(9), and one Os(5) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(10), one K(2), one K(8), and one Os(5) atom. In the twenty-ninth O site, O(29) is bonded in a 1-coordinate geometry to one K(10), one K(11), one K(8), one K(9), and one Os(2) atom. In the thirtieth O site, O(30) is bonded to one K(11), one K(12), one K(5), and one Os(2) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2OsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.406
_cell_length_b   10.945
_cell_length_c   11.023
_cell_angle_alpha   119.421
_cell_angle_beta   91.507
_cell_angle_gamma   90.806
_symmetry_Int_Tables_number   1
_cell_volume   882.630
_cell_formula_units_Z   6
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
  K  K0  1  0.996  0.034  0.698  1.0
  K  K1  1  0.011  0.659  0.957  1.0
  K  K2  1  0.738  0.349  0.683  1.0
  K  K3  1  0.257  0.318  0.657  1.0
  K  K4  1  0.268  0.988  0.995  1.0
  K  K5  1  0.443  0.666  0.620  1.0
  K  K6  1  0.997  0.280  0.311  1.0
  K  K7  1  0.743  0.656  0.321  1.0
  K  K8  1  0.235  0.651  0.330  1.0
  K  K9  1  0.487  0.372  0.029  1.0
  K  K10  1  0.555  0.966  0.342  1.0
  K  K11  1  0.737  0.989  0.985  1.0
  Os  Os12  1  0.501  0.031  0.697  1.0
  Os  Os13  1  0.506  0.675  0.972  1.0
  Os  Os14  1  0.004  0.668  0.636  1.0
  Os  Os15  1  0.496  0.305  0.329  1.0
  Os  Os16  1  0.992  0.376  0.021  1.0
  Os  Os17  1  0.005  0.954  0.326  1.0
  O  O18  1  0.001  0.203  0.999  1.0
  O  O19  1  0.685  0.111  0.787  1.0
  O  O20  1  0.323  0.120  0.777  1.0
  O  O21  1  0.005  0.314  0.833  1.0
  O  O22  1  0.493  0.483  0.867  1.0
  O  O23  1  0.326  0.680  0.883  1.0
  O  O24  1  0.689  0.682  0.898  1.0
  O  O25  1  0.510  0.132  0.605  1.0
  O  O26  1  0.011  0.804  0.818  1.0
  O  O27  1  0.964  0.538  0.689  1.0
  O  O28  1  0.046  0.138  0.454  1.0
  O  O29  1  0.493  0.399  0.520  1.0
  O  O30  1  0.489  0.934  0.793  1.0
  O  O31  1  0.817  0.678  0.567  1.0
  O  O32  1  0.675  0.223  0.342  1.0
  O  O33  1  0.313  0.215  0.315  1.0
  O  O34  1  0.966  0.994  0.188  1.0
  O  O35  1  0.128  0.788  0.605  1.0
  O  O36  1  0.119  0.533  0.500  1.0
  O  O37  1  0.497  0.869  0.535  1.0
  O  O38  1  0.495  0.470  0.329  1.0
  O  O39  1  0.510  0.211  0.139  1.0
  O  O40  1  0.854  0.956  0.441  1.0
  O  O41  1  0.978  0.456  0.210  1.0
  O  O42  1  0.942  0.771  0.215  1.0
  O  O43  1  0.204  0.907  0.337  1.0
  O  O44  1  0.175  0.475  0.049  1.0
  O  O45  1  0.805  0.449  0.016  1.0
  O  O46  1  0.511  0.664  0.130  1.0
  O  O47  1  0.505  0.867  0.074  1.0
[/CIF]
.
The material structure described by K2OsO5 crystallizes in the triclinic P1 space group. There are twelve inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(18), one O(2), one O(23), one O(3), and one O(4) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(10), one O(17), one O(25), one O(27), one O(28), one O(4), one O(6), one O(7), and one O(9) atom. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(4), one O(5), and one O(8) atom. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(8) atom. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(16), one O(17), one O(22), one O(3), one O(30), one O(6), and one O(9) atom. In the sixth K site, K(6) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(14), one O(18), one O(19), one O(20), one O(21), and one O(6) atom. In the seventh K site, K(7) is bonded to one O(1), one O(11), one O(15), one O(16), one O(17), one O(19), and one O(24) atom to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Os(3)O5 trigonal bipyramid, corners with two equivalent Os(4)O5 trigonal bipyramids,  an edgeedge with one K(12)O8 hexagonal bipyramid,  an edgeedge with one Os(5)O5 trigonal bipyramid, and  an edgeedge with one Os(6)O5 trigonal bipyramid. In the eighth K site, K(8) is bonded in a 8-coordinate geometry to one O(14), one O(20), one O(21), one O(23), one O(24), one O(25), one O(28), and one O(29) atom. In the ninth K site, K(9) is bonded in a 9-coordinate geometry to one O(18), one O(19), one O(20), one O(21), one O(24), one O(25), one O(26), one O(27), and one O(29) atom. In the tenth K site, K(10) is bonded in a 8-coordinate geometry to one O(2), one O(21), one O(22), one O(27), one O(28), one O(29), one O(3), and one O(5) atom. In the eleventh K site, K(11) is bonded in a 7-coordinate geometry to one O(15), one O(20), one O(23), one O(26), one O(29), one O(30), and one O(8) atom. In the twelfth K site, K(12) is bonded to one O(1), one O(13), one O(17), one O(2), one O(22), one O(30), one O(7), and one O(9) atom to form distorted KO8 hexagonal bipyramids that share  a cornercorner with one Os(3)O5 trigonal bipyramid,  a cornercorner with one Os(4)O5 trigonal bipyramid,  a cornercorner with one Os(5)O5 trigonal bipyramid,  a cornercorner with one Os(6)O5 trigonal bipyramid,  an edgeedge with one K(7)O7 pentagonal bipyramid,  an edgeedge with one Os(1)O5 trigonal bipyramid, and  an edgeedge with one Os(2)O5 trigonal bipyramid. There are six inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(13), one O(2), one O(20), one O(3), and one O(8) atom to form OsO5 trigonal bipyramids that share  an edgeedge with one K(12)O8 hexagonal bipyramid. In the second Os site, Os(2) is bonded to one O(29), one O(30), one O(5), one O(6), and one O(7) atom to form OsO5 trigonal bipyramids that share  an edgeedge with one K(12)O8 hexagonal bipyramid. In the third Os site, Os(3) is bonded to one O(10), one O(14), one O(18), one O(19), and one O(9) atom to form distorted OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  a cornercorner with one K(7)O7 pentagonal bipyramid. In the fourth Os site, Os(4) is bonded to one O(12), one O(15), one O(16), one O(21), and one O(22) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and corners with two equivalent K(7)O7 pentagonal bipyramids. In the fifth Os site, Os(5) is bonded to one O(1), one O(24), one O(27), one O(28), and one O(4) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  an edgeedge with one K(7)O7 pentagonal bipyramid. In the sixth Os site, Os(6) is bonded to one O(11), one O(17), one O(23), one O(25), and one O(26) atom to form OsO5 trigonal bipyramids that share  a cornercorner with one K(12)O8 hexagonal bipyramid and  an edgeedge with one K(7)O7 pentagonal bipyramid. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(12), one K(5), one K(7), and one Os(5) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(10), one K(12), and one Os(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), one K(10), one K(4), one K(5), and one Os(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), one K(4), and one Os(5) atom. In the fifth O site, O(5) is bonded to one K(10), one K(3), one K(4), and one Os(2) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(2), one K(5), one K(6), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(12), one K(2), and one Os(2) atom. In the eighth O site, O(8) is bonded to one K(11), one K(3), one K(4), and one Os(1) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one K(12), one K(2), one K(5), and one Os(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Os(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(4), one K(7), and one Os(6) atom. In the twelfth O site, O(12) is bonded to one K(3), one K(4), one K(6), and one Os(4) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the thirteenth O site, O(13) is bonded to one K(12), one K(5), one K(6), and one Os(1) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(6), one K(8), and one Os(3) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one K(11), one K(7), and one Os(4) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one K(5), one K(7), and one Os(4) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one K(12), one K(2), one K(5), one K(7), and one Os(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one K(1), one K(6), one K(9), and one Os(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(6), one K(7), one K(9), and one Os(3) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one K(11), one K(6), one K(8), one K(9), and one Os(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one K(10), one K(6), one K(8), one K(9), and one Os(4) atom. In the twenty-second O site, O(22) is bonded to one K(10), one K(12), one K(5), and one Os(4) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one K(1), one K(11), one K(8), and one Os(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted tetrahedral geometry to one K(7), one K(8), one K(9), and one Os(5) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one K(2), one K(8), one K(9), and one Os(6) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one K(11), one K(9), and one Os(6) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one K(10), one K(2), one K(9), and one Os(5) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(10), one K(2), one K(8), and one Os(5) atom. In the twenty-ninth O site, O(29) is bonded in a 1-coordinate geometry to one K(10), one K(11), one K(8), one K(9), and one Os(2) atom. In the thirtieth O site, O(30) is bonded to one K(11), one K(12), one K(5), and one Os(2) atom to form a mixture of distorted corner and edge-sharing OK3Os tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2OsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.406
_cell_length_b   10.945
_cell_length_c   11.023
_cell_angle_alpha   119.421
_cell_angle_beta   91.507
_cell_angle_gamma   90.806
_symmetry_Int_Tables_number   1
_cell_volume   882.630
_cell_formula_units_Z   6
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
  K  K0  1  0.996  0.034  0.698  1.0
  K  K1  1  0.011  0.659  0.957  1.0
  K  K2  1  0.738  0.349  0.683  1.0
  K  K3  1  0.257  0.318  0.657  1.0
  K  K4  1  0.268  0.988  0.995  1.0
  K  K5  1  0.443  0.666  0.620  1.0
  K  K6  1  0.997  0.280  0.311  1.0
  K  K7  1  0.743  0.656  0.321  1.0
  K  K8  1  0.235  0.651  0.330  1.0
  K  K9  1  0.487  0.372  0.029  1.0
  K  K10  1  0.555  0.966  0.342  1.0
  K  K11  1  0.737  0.989  0.985  1.0
  Os  Os12  1  0.501  0.031  0.697  1.0
  Os  Os13  1  0.506  0.675  0.972  1.0
  Os  Os14  1  0.004  0.668  0.636  1.0
  Os  Os15  1  0.496  0.305  0.329  1.0
  Os  Os16  1  0.992  0.376  0.021  1.0
  Os  Os17  1  0.005  0.954  0.326  1.0
  O  O18  1  0.001  0.203  0.999  1.0
  O  O19  1  0.685  0.111  0.787  1.0
  O  O20  1  0.323  0.120  0.777  1.0
  O  O21  1  0.005  0.314  0.833  1.0
  O  O22  1  0.493  0.483  0.867  1.0
  O  O23  1  0.326  0.680  0.883  1.0
  O  O24  1  0.689  0.682  0.898  1.0
  O  O25  1  0.510  0.132  0.605  1.0
  O  O26  1  0.011  0.804  0.818  1.0
  O  O27  1  0.964  0.538  0.689  1.0
  O  O28  1  0.046  0.138  0.454  1.0
  O  O29  1  0.493  0.399  0.520  1.0
  O  O30  1  0.489  0.934  0.793  1.0
  O  O31  1  0.817  0.678  0.567  1.0
  O  O32  1  0.675  0.223  0.342  1.0
  O  O33  1  0.313  0.215  0.315  1.0
  O  O34  1  0.966  0.994  0.188  1.0
  O  O35  1  0.128  0.788  0.605  1.0
  O  O36  1  0.119  0.533  0.500  1.0
  O  O37  1  0.497  0.869  0.535  1.0
  O  O38  1  0.495  0.470  0.329  1.0
  O  O39  1  0.510  0.211  0.139  1.0
  O  O40  1  0.854  0.956  0.441  1.0
  O  O41  1  0.978  0.456  0.210  1.0
  O  O42  1  0.942  0.771  0.215  1.0
  O  O43  1  0.204  0.907  0.337  1.0
  O  O44  1  0.175  0.475  0.049  1.0
  O  O45  1  0.805  0.449  0.016  1.0
  O  O46  1  0.511  0.664  0.130  1.0
  O  O47  1  0.505  0.867  0.074  1.0
[/CIF]
.