The material described by La9Mn10O30 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are nine inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(14), one O(27), one O(28), one O(29), one O(4), one O(6), and one O(7) atom. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(17), one O(2), one O(22), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(26), one O(29), one O(30), one O(4), one O(5), and one O(7) atom. In the fifth La site, La(5) is bonded in a 12-coordinate geometry to one O(10), one O(12), one O(13), one O(16), one O(17), one O(19), one O(20), one O(21), one O(23), one O(25), one O(5), and one O(8) atom. In the sixth La site, La(6) is bonded in a 12-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), one O(19), one O(20), one O(21), one O(23), one O(26), one O(6), and one O(8) atom. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(17), one O(2), one O(23), one O(24), one O(25), one O(28), one O(3), one O(30), and one O(4) atom. In the eighth La site, La(8) is bonded in a 12-coordinate geometry to one O(1), one O(15), one O(16), one O(18), one O(19), one O(21), one O(22), one O(24), one O(25), one O(27), one O(29), and one O(9) atom. In the ninth La site, La(9) is bonded in a 12-coordinate geometry to one O(14), one O(17), one O(18), one O(19), one O(21), one O(22), one O(24), one O(26), one O(27), one O(29), one O(30), and one O(9) atom. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(28), one O(3), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. In the second Mn site, Mn(2) is bonded to one O(13), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(20), one O(22), one O(24), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(16), one O(21), one O(7), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(14), one O(16), one O(19), and one O(22) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(15), one O(17), one O(18), one O(23), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the seventh Mn site, Mn(7) is bonded to one O(20), one O(21), one O(25), one O(26), one O(28), and one O(29) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. In the eighth Mn site, Mn(8) is bonded to one O(19), one O(23), one O(25), one O(26), one O(27), and one O(4) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(24), one O(27), one O(3), one O(30), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(11), one O(18), one O(2), one O(29), and one O(30) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(8), one Mn(10), and one Mn(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(7), one Mn(10), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(7), one Mn(1), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(7), one Mn(2), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one La(2), one La(4), one La(5), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), one Mn(4), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(5), one La(6), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(8), one La(9), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one La(6), one Mn(1), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Mn(10), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(2), one La(5), one La(6), one Mn(1), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(6), one Mn(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(6), one La(9), one Mn(4), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one La(3), one La(6), one La(8), one Mn(3), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one La(3), one La(5), one La(8), one Mn(4), and one Mn(5) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one La(2), one La(5), one La(7), one La(9), one Mn(3), and one Mn(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one La(8), one La(9), one Mn(10), and one Mn(6) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), one Mn(5), and one Mn(8) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one La(5), one La(6), one Mn(3), and one Mn(7) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(5), one La(6), one La(8), one La(9), one Mn(4), and one Mn(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(2), one La(8), one La(9), one Mn(3), and one Mn(5) atom. In the twenty-third O site, O(23) is bonded in a distorted linear geometry to one La(5), one La(6), one La(7), one Mn(6), and one Mn(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted linear geometry to one La(7), one La(8), one La(9), one Mn(3), and one Mn(9) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one La(5), one La(7), one La(8), one Mn(7), and one Mn(8) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one La(4), one La(6), one La(9), one Mn(7), and one Mn(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one La(1), one La(8), one La(9), one Mn(8), and one Mn(9) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one La(1), one La(7), one Mn(1), and one Mn(7) atom. In the twenty-ninth O site, O(29) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(8), one La(9), one Mn(10), and one Mn(7) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(9), one Mn(10), and one Mn(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La9Mn10O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   9.538
_cell_length_c   9.633
_cell_angle_alpha   80.996
_cell_angle_beta   113.818
_cell_angle_gamma   113.561
_symmetry_Int_Tables_number   1
_cell_volume   605.625
_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
  La  La0  1  0.552  0.701  0.900  1.0
  La  La1  1  0.657  0.108  0.708  1.0
  La  La2  1  0.148  0.098  0.702  1.0
  La  La3  1  0.049  0.690  0.905  1.0
  La  La4  1  0.745  0.497  0.500  1.0
  La  La5  1  0.243  0.494  0.491  1.0
  La  La6  1  0.451  0.300  0.102  1.0
  La  La7  1  0.850  0.908  0.293  1.0
  La  La8  1  0.354  0.903  0.298  1.0
  Mn  Mn9  1  0.603  0.400  0.803  1.0
  Mn  Mn10  1  0.099  0.398  0.801  1.0
  Mn  Mn11  1  0.800  0.201  0.396  1.0
  Mn  Mn12  1  0.200  0.800  0.599  1.0
  Mn  Mn13  1  0.700  0.801  0.600  1.0
  Mn  Mn14  1  0.298  0.201  0.398  1.0
  Mn  Mn15  1  0.900  0.598  0.199  1.0
  Mn  Mn16  1  0.396  0.596  0.200  1.0
  Mn  Mn17  1  0.503  0.002  0.001  1.0
  Mn  Mn18  1  0.001  0.003  0.001  1.0
  O  O19  1  0.726  0.993  0.960  1.0
  O  O20  1  0.105  0.207  0.912  1.0
  O  O21  1  0.498  0.186  0.875  1.0
  O  O22  1  0.287  0.525  0.985  1.0
  O  O23  1  0.854  0.395  0.813  1.0
  O  O24  1  0.336  0.412  0.760  1.0
  O  O25  1  0.306  0.874  0.810  1.0
  O  O26  1  0.919  0.275  0.613  1.0
  O  O27  1  0.302  0.013  0.529  1.0
  O  O28  1  0.696  0.613  0.723  1.0
  O  O29  1  0.883  0.921  0.789  1.0
  O  O30  1  0.480  0.320  0.590  1.0
  O  O31  1  0.104  0.590  0.675  1.0
  O  O32  1  0.461  0.789  0.635  1.0
  O  O33  1  0.062  0.186  0.437  1.0
  O  O34  1  0.937  0.814  0.560  1.0
  O  O35  1  0.541  0.213  0.370  1.0
  O  O36  1  0.131  0.065  0.219  1.0
  O  O37  1  0.516  0.679  0.412  1.0
  O  O38  1  0.889  0.418  0.336  1.0
  O  O39  1  0.088  0.726  0.390  1.0
  O  O40  1  0.707  0.990  0.480  1.0
  O  O41  1  0.333  0.396  0.292  1.0
  O  O42  1  0.662  0.107  0.196  1.0
  O  O43  1  0.663  0.593  0.234  1.0
  O  O44  1  0.152  0.628  0.174  1.0
  O  O45  1  0.495  0.810  0.120  1.0
  O  O46  1  0.700  0.488  0.005  1.0
  O  O47  1  0.906  0.788  0.078  1.0
  O  O48  1  0.259  0.986  0.031  1.0
[/CIF]
.
The material described by La9Mn10O30 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are nine inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(14), one O(27), one O(28), one O(29), one O(4), one O(6), and one O(7) atom. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(14), one O(17), one O(2), one O(22), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(26), one O(29), one O(30), one O(4), one O(5), and one O(7) atom. In the fifth La site, La(5) is bonded in a 12-coordinate geometry to one O(10), one O(12), one O(13), one O(16), one O(17), one O(19), one O(20), one O(21), one O(23), one O(25), one O(5), and one O(8) atom. In the sixth La site, La(6) is bonded in a 12-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), one O(19), one O(20), one O(21), one O(23), one O(26), one O(6), and one O(8) atom. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(17), one O(2), one O(23), one O(24), one O(25), one O(28), one O(3), one O(30), and one O(4) atom. In the eighth La site, La(8) is bonded in a 12-coordinate geometry to one O(1), one O(15), one O(16), one O(18), one O(19), one O(21), one O(22), one O(24), one O(25), one O(27), one O(29), and one O(9) atom. In the ninth La site, La(9) is bonded in a 12-coordinate geometry to one O(14), one O(17), one O(18), one O(19), one O(21), one O(22), one O(24), one O(26), one O(27), one O(29), one O(30), and one O(9) atom. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(28), one O(3), one O(5), and one O(6) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. In the second Mn site, Mn(2) is bonded to one O(13), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-23°. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(20), one O(22), one O(24), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(16), one O(21), one O(7), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(14), one O(16), one O(19), and one O(22) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(15), one O(17), one O(18), one O(23), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the seventh Mn site, Mn(7) is bonded to one O(20), one O(21), one O(25), one O(26), one O(28), and one O(29) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-22°. In the eighth Mn site, Mn(8) is bonded to one O(19), one O(23), one O(25), one O(26), one O(27), and one O(4) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 6-22°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(24), one O(27), one O(3), one O(30), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(11), one O(18), one O(2), one O(29), and one O(30) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(8), one Mn(10), and one Mn(9) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(7), one Mn(10), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(7), one Mn(1), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(7), one Mn(2), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one La(2), one La(4), one La(5), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(6), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), one Mn(4), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(5), one La(6), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(8), one La(9), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one La(6), one Mn(1), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Mn(10), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(2), one La(5), one La(6), one Mn(1), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(4), one La(5), one La(6), one Mn(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(6), one La(9), one Mn(4), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one La(3), one La(6), one La(8), one Mn(3), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one La(3), one La(5), one La(8), one Mn(4), and one Mn(5) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one La(2), one La(5), one La(7), one La(9), one Mn(3), and one Mn(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one La(8), one La(9), one Mn(10), and one Mn(6) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), one Mn(5), and one Mn(8) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one La(5), one La(6), one Mn(3), and one Mn(7) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one La(5), one La(6), one La(8), one La(9), one Mn(4), and one Mn(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one La(2), one La(8), one La(9), one Mn(3), and one Mn(5) atom. In the twenty-third O site, O(23) is bonded in a distorted linear geometry to one La(5), one La(6), one La(7), one Mn(6), and one Mn(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted linear geometry to one La(7), one La(8), one La(9), one Mn(3), and one Mn(9) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one La(5), one La(7), one La(8), one Mn(7), and one Mn(8) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one La(4), one La(6), one La(9), one Mn(7), and one Mn(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one La(1), one La(8), one La(9), one Mn(8), and one Mn(9) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one La(1), one La(7), one Mn(1), and one Mn(7) atom. In the twenty-ninth O site, O(29) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(8), one La(9), one Mn(10), and one Mn(7) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one La(4), one La(7), one La(9), one Mn(10), and one Mn(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La9Mn10O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   9.538
_cell_length_c   9.633
_cell_angle_alpha   80.996
_cell_angle_beta   113.818
_cell_angle_gamma   113.561
_symmetry_Int_Tables_number   1
_cell_volume   605.625
_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
  La  La0  1  0.552  0.701  0.900  1.0
  La  La1  1  0.657  0.108  0.708  1.0
  La  La2  1  0.148  0.098  0.702  1.0
  La  La3  1  0.049  0.690  0.905  1.0
  La  La4  1  0.745  0.497  0.500  1.0
  La  La5  1  0.243  0.494  0.491  1.0
  La  La6  1  0.451  0.300  0.102  1.0
  La  La7  1  0.850  0.908  0.293  1.0
  La  La8  1  0.354  0.903  0.298  1.0
  Mn  Mn9  1  0.603  0.400  0.803  1.0
  Mn  Mn10  1  0.099  0.398  0.801  1.0
  Mn  Mn11  1  0.800  0.201  0.396  1.0
  Mn  Mn12  1  0.200  0.800  0.599  1.0
  Mn  Mn13  1  0.700  0.801  0.600  1.0
  Mn  Mn14  1  0.298  0.201  0.398  1.0
  Mn  Mn15  1  0.900  0.598  0.199  1.0
  Mn  Mn16  1  0.396  0.596  0.200  1.0
  Mn  Mn17  1  0.503  0.002  0.001  1.0
  Mn  Mn18  1  0.001  0.003  0.001  1.0
  O  O19  1  0.726  0.993  0.960  1.0
  O  O20  1  0.105  0.207  0.912  1.0
  O  O21  1  0.498  0.186  0.875  1.0
  O  O22  1  0.287  0.525  0.985  1.0
  O  O23  1  0.854  0.395  0.813  1.0
  O  O24  1  0.336  0.412  0.760  1.0
  O  O25  1  0.306  0.874  0.810  1.0
  O  O26  1  0.919  0.275  0.613  1.0
  O  O27  1  0.302  0.013  0.529  1.0
  O  O28  1  0.696  0.613  0.723  1.0
  O  O29  1  0.883  0.921  0.789  1.0
  O  O30  1  0.480  0.320  0.590  1.0
  O  O31  1  0.104  0.590  0.675  1.0
  O  O32  1  0.461  0.789  0.635  1.0
  O  O33  1  0.062  0.186  0.437  1.0
  O  O34  1  0.937  0.814  0.560  1.0
  O  O35  1  0.541  0.213  0.370  1.0
  O  O36  1  0.131  0.065  0.219  1.0
  O  O37  1  0.516  0.679  0.412  1.0
  O  O38  1  0.889  0.418  0.336  1.0
  O  O39  1  0.088  0.726  0.390  1.0
  O  O40  1  0.707  0.990  0.480  1.0
  O  O41  1  0.333  0.396  0.292  1.0
  O  O42  1  0.662  0.107  0.196  1.0
  O  O43  1  0.663  0.593  0.234  1.0
  O  O44  1  0.152  0.628  0.174  1.0
  O  O45  1  0.495  0.810  0.120  1.0
  O  O46  1  0.700  0.488  0.005  1.0
  O  O47  1  0.906  0.788  0.078  1.0
  O  O48  1  0.259  0.986  0.031  1.0
[/CIF]
.