The material structure described by SrCa7Cr2Mn6O22 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(2), one O(20), one O(4), one O(7), one O(8), and one O(9) atom. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(20), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(21), one O(22), one O(4), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(18), one O(22), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(19), one O(2), one O(20), and one O(4) atom. In the fifth Ca site, Ca(5) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(16), one O(19), one O(20), one O(3), one O(5), and one O(6) atom. In the sixth Ca site, Ca(6) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(18), one O(21), and one O(22) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(18), one O(22), one O(3), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(7) atom to form CrO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-30°. In the second Cr site, Cr(2) is bonded to one O(11), one O(19), one O(21), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids, and corners with two equivalent Mn(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-24°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(16), one O(18), and one O(8) atom to form MnO5 square pyramids that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  a cornercorner with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 14-23°. In the second Mn site, Mn(2) is bonded to one O(13), one O(15), one O(17), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids, and corners with two equivalent Mn(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-21°. In the third Mn site, Mn(3) is bonded to one O(10), one O(14), one O(16), one O(18), one O(2), and one O(3) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and corners with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-21°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(20), one O(22), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and corners with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-24°. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(19), one O(21), one O(6), and one O(9) atom to form MnO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-31°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(14), one O(20), one O(22), and one O(6) atom to form MnO5 square pyramids that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-23°. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(2), one Ca(4), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one Ca(4), one Cr(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Cr(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Cr(1), and one Cr(2) atom to form distorted OSrCa3Cr2 octahedra that share edges with two equivalent O(9)SrCa3Mn2 octahedra,  a faceface with one O(15)SrCa3MnCr octahedra, and  a faceface with one O(19)SrCa3MnCr octahedra. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share edges with two equivalent O(7)SrCa3Cr2 octahedra,  a faceface with one O(15)SrCa3MnCr octahedra, and  a faceface with one O(19)SrCa3MnCr octahedra. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(3), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Cr(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), one Mn(1), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Mn(2), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), one Mn(3), and one Mn(6) atom. In the fifteenth O site, O(15) is bonded to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Cr(1), and one Mn(2) atom to form distorted OSrCa3MnCr octahedra that share edges with two equivalent O(19)SrCa3MnCr octahedra,  a faceface with one O(7)SrCa3Cr2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Mn(1), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Cr(1), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Mn(1), and one Mn(3) atom. In the nineteenth O site, O(19) is bonded to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Cr(2), and one Mn(5) atom to form distorted OSrCa3MnCr octahedra that share edges with two equivalent O(15)SrCa3MnCr octahedra,  a faceface with one O(7)SrCa3Cr2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Mn(4), and one Mn(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Cr(2), and one Mn(5) atom. In the twenty-second O site, O(22) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_SrCa7Mn6Cr2O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.723
_cell_length_b   7.714
_cell_length_c   7.666
_cell_angle_alpha   89.951
_cell_angle_beta   89.918
_cell_angle_gamma   90.611
_symmetry_Int_Tables_number   1
_cell_volume   456.721
_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
  Sr  Sr0  1  0.251  0.252  0.234  1.0
  Ca  Ca1  1  0.249  0.251  0.741  1.0
  Ca  Ca2  1  0.252  0.748  0.248  1.0
  Ca  Ca3  1  0.250  0.751  0.735  1.0
  Ca  Ca4  1  0.746  0.248  0.234  1.0
  Ca  Ca5  1  0.748  0.244  0.733  1.0
  Ca  Ca6  1  0.749  0.749  0.250  1.0
  Ca  Ca7  1  0.752  0.751  0.713  1.0
  Mn  Mn8  1  0.999  1.000  0.506  1.0
  Mn  Mn9  1  0.995  0.506  0.004  1.0
  Mn  Mn10  1  0.998  0.501  0.495  1.0
  Mn  Mn11  1  0.502  0.999  0.495  1.0
  Mn  Mn12  1  0.507  0.507  0.986  1.0
  Mn  Mn13  1  0.503  0.502  0.510  1.0
  Cr  Cr14  1  0.993  0.992  0.988  1.0
  Cr  Cr15  1  0.504  0.992  0.003  1.0
  O  O16  1  0.958  0.962  0.757  1.0
  O  O17  1  0.029  0.472  0.252  1.0
  O  O18  1  0.968  0.534  0.752  1.0
  O  O19  1  0.468  0.033  0.256  1.0
  O  O20  1  0.539  0.963  0.745  1.0
  O  O21  1  0.537  0.544  0.752  1.0
  O  O22  1  0.240  0.999  0.982  1.0
  O  O23  1  0.249  0.996  0.531  1.0
  O  O24  1  0.254  0.498  0.982  1.0
  O  O25  1  0.253  0.505  0.521  1.0
  O  O26  1  0.760  0.995  0.054  1.0
  O  O27  1  0.755  0.008  0.450  1.0
  O  O28  1  0.745  0.504  0.054  1.0
  O  O29  1  0.744  0.494  0.453  1.0
  O  O30  1  0.992  0.240  0.996  1.0
  O  O31  1  0.002  0.249  0.533  1.0
  O  O32  1  0.006  0.760  0.059  1.0
  O  O33  1  0.000  0.755  0.455  1.0
  O  O34  1  0.511  0.258  0.991  1.0
  O  O35  1  0.498  0.252  0.535  1.0
  O  O36  1  0.494  0.739  0.061  1.0
  O  O37  1  0.500  0.745  0.452  1.0
[/CIF]
.
The material structure described by SrCa7Cr2Mn6O22 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(2), one O(20), one O(4), one O(7), one O(8), and one O(9) atom. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(20), one O(7), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(21), one O(22), one O(4), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(18), one O(22), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 10-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(19), one O(2), one O(20), and one O(4) atom. In the fifth Ca site, Ca(5) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(14), one O(15), one O(16), one O(19), one O(20), one O(3), one O(5), and one O(6) atom. In the sixth Ca site, Ca(6) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(18), one O(21), and one O(22) atom. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(18), one O(22), one O(3), one O(5), and one O(6) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(7) atom to form CrO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-30°. In the second Cr site, Cr(2) is bonded to one O(11), one O(19), one O(21), one O(4), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids, and corners with two equivalent Mn(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-24°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(16), one O(18), and one O(8) atom to form MnO5 square pyramids that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  a cornercorner with one Cr(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 14-23°. In the second Mn site, Mn(2) is bonded to one O(13), one O(15), one O(17), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cr(1)O5 square pyramids, and corners with two equivalent Mn(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-21°. In the third Mn site, Mn(3) is bonded to one O(10), one O(14), one O(16), one O(18), one O(2), and one O(3) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and corners with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-21°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(20), one O(22), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and corners with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 22-24°. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(19), one O(21), one O(6), and one O(9) atom to form MnO5 square pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-31°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(14), one O(20), one O(22), and one O(6) atom to form MnO5 square pyramids that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-23°. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Cr(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(2), one Ca(4), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(2), one Ca(4), one Cr(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Cr(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Cr(1), and one Cr(2) atom to form distorted OSrCa3Cr2 octahedra that share edges with two equivalent O(9)SrCa3Mn2 octahedra,  a faceface with one O(15)SrCa3MnCr octahedra, and  a faceface with one O(19)SrCa3MnCr octahedra. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(5) atom to form distorted OSrCa3Mn2 octahedra that share edges with two equivalent O(7)SrCa3Cr2 octahedra,  a faceface with one O(15)SrCa3MnCr octahedra, and  a faceface with one O(19)SrCa3MnCr octahedra. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(3), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Cr(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), one Mn(1), and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(6), one Mn(2), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Ca(7), one Mn(3), and one Mn(6) atom. In the fifteenth O site, O(15) is bonded to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Cr(1), and one Mn(2) atom to form distorted OSrCa3MnCr octahedra that share edges with two equivalent O(19)SrCa3MnCr octahedra,  a faceface with one O(7)SrCa3Cr2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Mn(1), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Cr(1), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Mn(1), and one Mn(3) atom. In the nineteenth O site, O(19) is bonded to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Cr(2), and one Mn(5) atom to form distorted OSrCa3MnCr octahedra that share edges with two equivalent O(15)SrCa3MnCr octahedra,  a faceface with one O(7)SrCa3Cr2 octahedra, and  a faceface with one O(9)SrCa3Mn2 octahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(4), one Ca(5), one Mn(4), and one Mn(6) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Cr(2), and one Mn(5) atom. In the twenty-second O site, O(22) is bonded in a 6-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_SrCa7Mn6Cr2O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.723
_cell_length_b   7.714
_cell_length_c   7.666
_cell_angle_alpha   89.951
_cell_angle_beta   89.918
_cell_angle_gamma   90.611
_symmetry_Int_Tables_number   1
_cell_volume   456.721
_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
  Sr  Sr0  1  0.251  0.252  0.234  1.0
  Ca  Ca1  1  0.249  0.251  0.741  1.0
  Ca  Ca2  1  0.252  0.748  0.248  1.0
  Ca  Ca3  1  0.250  0.751  0.735  1.0
  Ca  Ca4  1  0.746  0.248  0.234  1.0
  Ca  Ca5  1  0.748  0.244  0.733  1.0
  Ca  Ca6  1  0.749  0.749  0.250  1.0
  Ca  Ca7  1  0.752  0.751  0.713  1.0
  Mn  Mn8  1  0.999  1.000  0.506  1.0
  Mn  Mn9  1  0.995  0.506  0.004  1.0
  Mn  Mn10  1  0.998  0.501  0.495  1.0
  Mn  Mn11  1  0.502  0.999  0.495  1.0
  Mn  Mn12  1  0.507  0.507  0.986  1.0
  Mn  Mn13  1  0.503  0.502  0.510  1.0
  Cr  Cr14  1  0.993  0.992  0.988  1.0
  Cr  Cr15  1  0.504  0.992  0.003  1.0
  O  O16  1  0.958  0.962  0.757  1.0
  O  O17  1  0.029  0.472  0.252  1.0
  O  O18  1  0.968  0.534  0.752  1.0
  O  O19  1  0.468  0.033  0.256  1.0
  O  O20  1  0.539  0.963  0.745  1.0
  O  O21  1  0.537  0.544  0.752  1.0
  O  O22  1  0.240  0.999  0.982  1.0
  O  O23  1  0.249  0.996  0.531  1.0
  O  O24  1  0.254  0.498  0.982  1.0
  O  O25  1  0.253  0.505  0.521  1.0
  O  O26  1  0.760  0.995  0.054  1.0
  O  O27  1  0.755  0.008  0.450  1.0
  O  O28  1  0.745  0.504  0.054  1.0
  O  O29  1  0.744  0.494  0.453  1.0
  O  O30  1  0.992  0.240  0.996  1.0
  O  O31  1  0.002  0.249  0.533  1.0
  O  O32  1  0.006  0.760  0.059  1.0
  O  O33  1  0.000  0.755  0.455  1.0
  O  O34  1  0.511  0.258  0.991  1.0
  O  O35  1  0.498  0.252  0.535  1.0
  O  O36  1  0.494  0.739  0.061  1.0
  O  O37  1  0.500  0.745  0.452  1.0
[/CIF]
.