The compound described by Mn7Si3O14 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Si(1)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-69°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(14), one O(4), one O(6), and two equivalent O(10) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(11), one O(2), one O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-68°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(12), one O(2), one O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(13), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(14), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mn(2), one Mn(6), one Mn(7), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Mn(7), and one Si(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(5), and one Si(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Mn(5), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Mn(7), and one Si(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(6), and one Si(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(7) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(3), and one Si(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(6), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(7), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(5), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7Si3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   10.617
_cell_length_c   11.302
_cell_angle_alpha   104.175
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.542
_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
  Mn  Mn0  1  0.486  0.422  0.705  1.0
  Mn  Mn1  1  0.986  0.078  0.295  1.0
  Mn  Mn2  1  0.495  0.578  0.299  1.0
  Mn  Mn3  1  0.995  0.922  0.701  1.0
  Mn  Mn4  1  0.524  0.177  0.848  1.0
  Mn  Mn5  1  0.024  0.323  0.152  1.0
  Mn  Mn6  1  0.476  0.818  0.146  1.0
  Mn  Mn7  1  0.976  0.682  0.854  1.0
  Mn  Mn8  1  0.493  0.497  0.003  1.0
  Mn  Mn9  1  0.993  0.003  0.997  1.0
  Mn  Mn10  1  0.973  0.159  0.592  1.0
  Mn  Mn11  1  0.473  0.341  0.408  1.0
  Mn  Mn12  1  0.005  0.827  0.426  1.0
  Mn  Mn13  1  0.505  0.673  0.574  1.0
  Si  Si14  1  0.070  0.366  0.857  1.0
  Si  Si15  1  0.570  0.134  0.143  1.0
  Si  Si16  1  0.918  0.631  0.148  1.0
  Si  Si17  1  0.418  0.869  0.852  1.0
  Si  Si18  1  0.909  0.479  0.558  1.0
  Si  Si19  1  0.409  0.021  0.442  1.0
  O  O20  1  0.246  0.982  0.555  1.0
  O  O21  1  0.746  0.518  0.445  1.0
  O  O22  1  0.742  0.021  0.437  1.0
  O  O23  1  0.242  0.479  0.563  1.0
  O  O24  1  0.272  0.010  0.845  1.0
  O  O25  1  0.772  0.490  0.155  1.0
  O  O26  1  0.706  0.989  0.144  1.0
  O  O27  1  0.206  0.511  0.856  1.0
  O  O28  1  0.791  0.081  0.717  1.0
  O  O29  1  0.291  0.419  0.283  1.0
  O  O30  1  0.268  0.921  0.317  1.0
  O  O31  1  0.768  0.579  0.683  1.0
  O  O32  1  0.776  0.333  0.559  1.0
  O  O33  1  0.276  0.167  0.441  1.0
  O  O34  1  0.300  0.693  0.431  1.0
  O  O35  1  0.800  0.807  0.569  1.0
  O  O36  1  0.709  0.170  0.022  1.0
  O  O37  1  0.209  0.330  0.978  1.0
  O  O38  1  0.279  0.833  0.973  1.0
  O  O39  1  0.779  0.667  0.027  1.0
  O  O40  1  0.220  0.269  0.738  1.0
  O  O41  1  0.720  0.231  0.262  1.0
  O  O42  1  0.768  0.727  0.269  1.0
  O  O43  1  0.268  0.773  0.731  1.0
  O  O44  1  0.738  0.368  0.854  1.0
  O  O45  1  0.238  0.132  0.146  1.0
  O  O46  1  0.249  0.634  0.148  1.0
  O  O47  1  0.749  0.866  0.852  1.0
[/CIF]
.
The compound described by Mn7Si3O14 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Si(1)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-68°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-69°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(14), one O(4), one O(6), and two equivalent O(10) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(13), one O(14), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(11), one O(2), one O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-68°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(12), one O(2), one O(6), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(13), one O(4), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(14), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Mn(2), one Mn(6), one Mn(7), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(6), one Mn(7), and one Si(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(5), and one Si(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Mn(5), and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(4), one Mn(7), and one Si(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(6), and one Si(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(7) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(3), and one Si(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mn(5), two equivalent Mn(4), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(6), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(7), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(5), and one Si(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7Si3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   10.617
_cell_length_c   11.302
_cell_angle_alpha   104.175
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   570.542
_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
  Mn  Mn0  1  0.486  0.422  0.705  1.0
  Mn  Mn1  1  0.986  0.078  0.295  1.0
  Mn  Mn2  1  0.495  0.578  0.299  1.0
  Mn  Mn3  1  0.995  0.922  0.701  1.0
  Mn  Mn4  1  0.524  0.177  0.848  1.0
  Mn  Mn5  1  0.024  0.323  0.152  1.0
  Mn  Mn6  1  0.476  0.818  0.146  1.0
  Mn  Mn7  1  0.976  0.682  0.854  1.0
  Mn  Mn8  1  0.493  0.497  0.003  1.0
  Mn  Mn9  1  0.993  0.003  0.997  1.0
  Mn  Mn10  1  0.973  0.159  0.592  1.0
  Mn  Mn11  1  0.473  0.341  0.408  1.0
  Mn  Mn12  1  0.005  0.827  0.426  1.0
  Mn  Mn13  1  0.505  0.673  0.574  1.0
  Si  Si14  1  0.070  0.366  0.857  1.0
  Si  Si15  1  0.570  0.134  0.143  1.0
  Si  Si16  1  0.918  0.631  0.148  1.0
  Si  Si17  1  0.418  0.869  0.852  1.0
  Si  Si18  1  0.909  0.479  0.558  1.0
  Si  Si19  1  0.409  0.021  0.442  1.0
  O  O20  1  0.246  0.982  0.555  1.0
  O  O21  1  0.746  0.518  0.445  1.0
  O  O22  1  0.742  0.021  0.437  1.0
  O  O23  1  0.242  0.479  0.563  1.0
  O  O24  1  0.272  0.010  0.845  1.0
  O  O25  1  0.772  0.490  0.155  1.0
  O  O26  1  0.706  0.989  0.144  1.0
  O  O27  1  0.206  0.511  0.856  1.0
  O  O28  1  0.791  0.081  0.717  1.0
  O  O29  1  0.291  0.419  0.283  1.0
  O  O30  1  0.268  0.921  0.317  1.0
  O  O31  1  0.768  0.579  0.683  1.0
  O  O32  1  0.776  0.333  0.559  1.0
  O  O33  1  0.276  0.167  0.441  1.0
  O  O34  1  0.300  0.693  0.431  1.0
  O  O35  1  0.800  0.807  0.569  1.0
  O  O36  1  0.709  0.170  0.022  1.0
  O  O37  1  0.209  0.330  0.978  1.0
  O  O38  1  0.279  0.833  0.973  1.0
  O  O39  1  0.779  0.667  0.027  1.0
  O  O40  1  0.220  0.269  0.738  1.0
  O  O41  1  0.720  0.231  0.262  1.0
  O  O42  1  0.768  0.727  0.269  1.0
  O  O43  1  0.268  0.773  0.731  1.0
  O  O44  1  0.738  0.368  0.854  1.0
  O  O45  1  0.238  0.132  0.146  1.0
  O  O46  1  0.249  0.634  0.148  1.0
  O  O47  1  0.749  0.866  0.852  1.0
[/CIF]
.