The compound described by Ca10Nb5InO24 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CaO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second Ca site, Ca(2) is bonded to one O(12), one O(15), one O(19), one O(24), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(16), one O(17), one O(20), one O(22), and one O(7) atom. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(19), one O(2), one O(21), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(23), one O(3), one O(6), and one O(9) atom. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(17), one O(20), one O(24), one O(4), and one O(5) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(16), one O(18), one O(21), one O(24), one O(3), and one O(5) atom. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(17), one O(22), one O(23), one O(4), one O(6), and one O(9) atom. In the ninth Ca site, Ca(9) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(13), one O(19), one O(2), one O(22), one O(23), and one O(7) atom. In the tenth Ca site, Ca(10) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(20), one O(21), one O(24), one O(8), and one O(9) atom. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(11), one O(16), one O(19), one O(24), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the second Nb site, Nb(2) is bonded to one O(12), one O(15), one O(2), one O(20), one O(23), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-41°. In the third Nb site, Nb(3) is bonded to one O(10), one O(14), one O(17), one O(21), one O(3), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the fourth Nb site, Nb(4) is bonded to one O(13), one O(18), one O(22), one O(4), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(16), one O(20), one O(23), one O(4), and one O(7) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. In(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(10), one Ca(3), one Nb(1), and one In(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(4), one Ca(9), and one Nb(2) atom to form distorted OCa3Nb tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the third O site, O(3) is bonded to one Ca(2), one Ca(5), one Ca(7), and one Nb(3) atom to form distorted OCa3Nb tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the fourth O site, O(4) is bonded to one Ca(6), one Ca(8), one Nb(4), and one Nb(5) atom to form distorted OCa2Nb2 tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the fifth O site, O(5) is bonded to one Ca(6), one Ca(7), one Nb(2), and one In(1) atom to form distorted OCa2NbIn tetrahedra that share  a cornercorner with one O(4)Ca2Nb2 tetrahedra,  a cornercorner with one O(2)Ca3Nb tetrahedra, and  a cornercorner with one O(3)Ca3Nb tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(5), one Ca(8), and one Nb(1) atom. In the seventh O site, O(7) is bonded to one Ca(3), one Ca(9), one Nb(3), and one Nb(5) atom to form distorted OCa2Nb2 tetrahedra that share  a cornercorner with one O(4)Ca2Nb2 tetrahedra,  a cornercorner with one O(2)Ca3Nb tetrahedra, and  a cornercorner with one O(3)Ca3Nb tetrahedra. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Ca(10), one Ca(2), one Ca(4), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), one Nb(4), and one In(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(6), one Ca(7), one Ca(9), and one Nb(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(4), one Ca(8), one Nb(1), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(7), one Ca(9), and one Nb(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(6), one Ca(9), one Nb(4), and one In(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(10), one Ca(3), and one Nb(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Nb(2) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Nb(1), and one Nb(5) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(6), one Ca(8), one Nb(3), and one In(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(5), one Ca(7), and one Nb(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Ca(9), and one Nb(1) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(3), one Ca(6), one Nb(2), and one Nb(5) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(7), one Nb(3), and one In(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(8), one Ca(9), and one Nb(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Ca(5), one Ca(8), one Ca(9), one Nb(2), and one Nb(5) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(2), one Ca(6), one Ca(7), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ca10Nb5InO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.089
_cell_length_b   8.053
_cell_length_c   9.861
_cell_angle_alpha   66.701
_cell_angle_beta   66.851
_cell_angle_gamma   92.307
_symmetry_Int_Tables_number   1
_cell_volume   527.686
_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
  Ca  Ca0  1  0.750  0.252  0.502  1.0
  Ca  Ca1  1  0.001  0.999  0.001  1.0
  Ca  Ca2  1  0.598  0.153  0.261  1.0
  Ca  Ca3  1  0.114  0.663  0.243  1.0
  Ca  Ca4  1  0.417  0.362  0.747  1.0
  Ca  Ca5  1  0.912  0.856  0.742  1.0
  Ca  Ca6  1  0.892  0.342  0.759  1.0
  Ca  Ca7  1  0.398  0.843  0.739  1.0
  Ca  Ca8  1  0.087  0.144  0.262  1.0
  Ca  Ca9  1  0.581  0.642  0.250  1.0
  Nb  Nb10  1  0.499  0.005  0.998  1.0
  Nb  Nb11  1  0.985  0.503  0.004  1.0
  Nb  Nb12  1  0.250  0.254  0.508  1.0
  Nb  Nb13  1  0.751  0.745  0.492  1.0
  Nb  Nb14  1  0.490  0.502  0.999  1.0
  In  In15  1  0.251  0.750  0.498  1.0
  O  O16  1  0.462  0.908  0.239  1.0
  O  O17  1  0.966  0.424  0.225  1.0
  O  O18  1  0.174  0.221  0.728  1.0
  O  O19  1  0.650  0.687  0.764  1.0
  O  O20  1  0.055  0.585  0.759  1.0
  O  O21  1  0.522  0.080  0.776  1.0
  O  O22  1  0.351  0.319  0.235  1.0
  O  O23  1  0.830  0.771  0.273  1.0
  O  O24  1  0.477  0.668  0.562  1.0
  O  O25  1  1.000  0.168  0.540  1.0
  O  O26  1  0.428  0.717  0.054  1.0
  O  O27  1  0.917  0.241  0.053  1.0
  O  O28  1  0.010  0.825  0.458  1.0
  O  O29  1  0.520  0.334  0.428  1.0
  O  O30  1  0.088  0.766  0.934  1.0
  O  O31  1  0.571  0.278  0.952  1.0
  O  O32  1  0.287  0.993  0.544  1.0
  O  O33  1  0.758  0.479  0.585  1.0
  O  O34  1  0.232  0.007  0.082  1.0
  O  O35  1  0.728  0.530  0.047  1.0
  O  O36  1  0.231  0.523  0.431  1.0
  O  O37  1  0.721  0.002  0.448  1.0
  O  O38  1  0.285  0.476  0.947  1.0
  O  O39  1  0.760  0.985  0.930  1.0
[/CIF]
.
The compound described by Ca10Nb5InO24 crystallizes in the triclinic P1 space group. There are ten inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CaO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. In the second Ca site, Ca(2) is bonded to one O(12), one O(15), one O(19), one O(24), one O(3), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(16), one O(17), one O(20), one O(22), and one O(7) atom. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(19), one O(2), one O(21), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(23), one O(3), one O(6), and one O(9) atom. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(17), one O(20), one O(24), one O(4), and one O(5) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(16), one O(18), one O(21), one O(24), one O(3), and one O(5) atom. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(17), one O(22), one O(23), one O(4), one O(6), and one O(9) atom. In the ninth Ca site, Ca(9) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(13), one O(19), one O(2), one O(22), one O(23), and one O(7) atom. In the tenth Ca site, Ca(10) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(20), one O(21), one O(24), one O(8), and one O(9) atom. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(11), one O(16), one O(19), one O(24), and one O(6) atom to form NbO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the second Nb site, Nb(2) is bonded to one O(12), one O(15), one O(2), one O(20), one O(23), and one O(5) atom to form NbO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-41°. In the third Nb site, Nb(3) is bonded to one O(10), one O(14), one O(17), one O(21), one O(3), and one O(7) atom to form NbO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the fourth Nb site, Nb(4) is bonded to one O(13), one O(18), one O(22), one O(4), one O(8), and one O(9) atom to form NbO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(16), one O(20), one O(23), one O(4), and one O(7) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-35°. In(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-41°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Ca(10), one Ca(3), one Nb(1), and one In(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(4), one Ca(9), and one Nb(2) atom to form distorted OCa3Nb tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the third O site, O(3) is bonded to one Ca(2), one Ca(5), one Ca(7), and one Nb(3) atom to form distorted OCa3Nb tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the fourth O site, O(4) is bonded to one Ca(6), one Ca(8), one Nb(4), and one Nb(5) atom to form distorted OCa2Nb2 tetrahedra that share  a cornercorner with one O(7)Ca2Nb2 tetrahedra and  a cornercorner with one O(5)Ca2NbIn tetrahedra. In the fifth O site, O(5) is bonded to one Ca(6), one Ca(7), one Nb(2), and one In(1) atom to form distorted OCa2NbIn tetrahedra that share  a cornercorner with one O(4)Ca2Nb2 tetrahedra,  a cornercorner with one O(2)Ca3Nb tetrahedra, and  a cornercorner with one O(3)Ca3Nb tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ca(1), one Ca(5), one Ca(8), and one Nb(1) atom. In the seventh O site, O(7) is bonded to one Ca(3), one Ca(9), one Nb(3), and one Nb(5) atom to form distorted OCa2Nb2 tetrahedra that share  a cornercorner with one O(4)Ca2Nb2 tetrahedra,  a cornercorner with one O(2)Ca3Nb tetrahedra, and  a cornercorner with one O(3)Ca3Nb tetrahedra. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Ca(10), one Ca(2), one Ca(4), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(5), one Ca(8), one Nb(4), and one In(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(6), one Ca(7), one Ca(9), and one Nb(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(4), one Ca(8), one Nb(1), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(7), one Ca(9), and one Nb(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(6), one Ca(9), one Nb(4), and one In(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(10), one Ca(3), and one Nb(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Ca(6), one Ca(8), and one Nb(2) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Nb(1), and one Nb(5) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(6), one Ca(8), one Nb(3), and one In(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(5), one Ca(7), and one Nb(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Ca(9), and one Nb(1) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(3), one Ca(6), one Nb(2), and one Nb(5) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(10), one Ca(4), one Ca(7), one Nb(3), and one In(1) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(8), one Ca(9), and one Nb(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Ca(5), one Ca(8), one Ca(9), one Nb(2), and one Nb(5) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Ca(10), one Ca(2), one Ca(6), one Ca(7), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ca10Nb5InO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.089
_cell_length_b   8.053
_cell_length_c   9.861
_cell_angle_alpha   66.701
_cell_angle_beta   66.851
_cell_angle_gamma   92.307
_symmetry_Int_Tables_number   1
_cell_volume   527.686
_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
  Ca  Ca0  1  0.750  0.252  0.502  1.0
  Ca  Ca1  1  0.001  0.999  0.001  1.0
  Ca  Ca2  1  0.598  0.153  0.261  1.0
  Ca  Ca3  1  0.114  0.663  0.243  1.0
  Ca  Ca4  1  0.417  0.362  0.747  1.0
  Ca  Ca5  1  0.912  0.856  0.742  1.0
  Ca  Ca6  1  0.892  0.342  0.759  1.0
  Ca  Ca7  1  0.398  0.843  0.739  1.0
  Ca  Ca8  1  0.087  0.144  0.262  1.0
  Ca  Ca9  1  0.581  0.642  0.250  1.0
  Nb  Nb10  1  0.499  0.005  0.998  1.0
  Nb  Nb11  1  0.985  0.503  0.004  1.0
  Nb  Nb12  1  0.250  0.254  0.508  1.0
  Nb  Nb13  1  0.751  0.745  0.492  1.0
  Nb  Nb14  1  0.490  0.502  0.999  1.0
  In  In15  1  0.251  0.750  0.498  1.0
  O  O16  1  0.462  0.908  0.239  1.0
  O  O17  1  0.966  0.424  0.225  1.0
  O  O18  1  0.174  0.221  0.728  1.0
  O  O19  1  0.650  0.687  0.764  1.0
  O  O20  1  0.055  0.585  0.759  1.0
  O  O21  1  0.522  0.080  0.776  1.0
  O  O22  1  0.351  0.319  0.235  1.0
  O  O23  1  0.830  0.771  0.273  1.0
  O  O24  1  0.477  0.668  0.562  1.0
  O  O25  1  1.000  0.168  0.540  1.0
  O  O26  1  0.428  0.717  0.054  1.0
  O  O27  1  0.917  0.241  0.053  1.0
  O  O28  1  0.010  0.825  0.458  1.0
  O  O29  1  0.520  0.334  0.428  1.0
  O  O30  1  0.088  0.766  0.934  1.0
  O  O31  1  0.571  0.278  0.952  1.0
  O  O32  1  0.287  0.993  0.544  1.0
  O  O33  1  0.758  0.479  0.585  1.0
  O  O34  1  0.232  0.007  0.082  1.0
  O  O35  1  0.728  0.530  0.047  1.0
  O  O36  1  0.231  0.523  0.431  1.0
  O  O37  1  0.721  0.002  0.448  1.0
  O  O38  1  0.285  0.476  0.947  1.0
  O  O39  1  0.760  0.985  0.930  1.0
[/CIF]
.