The material described by Ba5Eu5(Fe5O13)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(11), two equivalent O(12), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Fe(5)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, faces with two equivalent Fe(1)O5 trigonal bipyramids, and faces with two equivalent Fe(4)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), one O(5), one O(7), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Fe(5)O6 octahedra,  a faceface with one Fe(2)O5 square pyramid,  a faceface with one Fe(4)O5 trigonal bipyramid, faces with two equivalent Fe(1)O5 trigonal bipyramids, and faces with two equivalent Fe(3)O5 trigonal bipyramids. In the third Ba site, Ba(3) is bonded to one O(11), one O(13), one O(3), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(12), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(5)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids,  a faceface with one Fe(1)O5 trigonal bipyramid, faces with two equivalent Fe(3)O5 trigonal bipyramids, and faces with two equivalent Fe(4)O5 trigonal bipyramids. There are three inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a distorted q6 geometry to one O(10), one O(14), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(1) atoms. In the second Eu site, Eu(2) is bonded in a distorted q6 geometry to one O(10), one O(14), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the third Eu site, Eu(3) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(6) atom to form FeO5 trigonal bipyramids that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form FeO5 square pyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(4)O5 trigonal bipyramids,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the third Fe site, Fe(3) is bonded to one O(13), one O(3), one O(5), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(4), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Eu(1), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Eu(1), one Eu(2), one Fe(2), and one Fe(5) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(2), one Eu(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one Eu(2), one Eu(3), one Fe(2), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(1), one Eu(2), one Fe(3), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Eu(1), one Eu(3), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Eu(2), one Fe(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(1), one Eu(3), one Fe(3), and one Fe(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Eu(1), one Eu(2), one Fe(4), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), one Eu(1), one Eu(2), one Fe(1), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Fe(1), and one Fe(5) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Fe(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Fe(3) atoms to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Eu(1), two equivalent Eu(2), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Ba5Eu5(Fe5O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.957
_cell_length_c   8.953
_cell_angle_alpha   89.909
_cell_angle_beta   114.047
_cell_angle_gamma   101.824
_symmetry_Int_Tables_number   1
_cell_volume   627.966
_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
  Ba  Ba0  1  0.000  0.800  0.600  1.0
  Ba  Ba1  1  0.000  0.602  0.199  1.0
  Ba  Ba2  1  0.003  0.402  0.802  1.0
  Ba  Ba3  1  0.997  0.198  0.398  1.0
  Ba  Ba4  1  1.000  0.998  0.001  1.0
  Eu  Eu5  1  0.500  0.895  0.812  1.0
  Eu  Eu6  1  0.500  0.705  0.388  1.0
  Eu  Eu7  1  0.500  0.512  0.005  1.0
  Eu  Eu8  1  0.500  0.300  0.600  1.0
  Eu  Eu9  1  0.500  0.088  0.195  1.0
  Fe  Fe10  1  0.753  0.650  0.798  1.0
  Fe  Fe11  1  0.750  0.446  0.400  1.0
  Fe  Fe12  1  0.750  0.253  0.999  1.0
  Fe  Fe13  1  0.750  0.051  0.603  1.0
  Fe  Fe14  1  0.740  0.848  0.196  1.0
  Fe  Fe15  1  0.250  0.549  0.597  1.0
  Fe  Fe16  1  0.250  0.347  0.201  1.0
  Fe  Fe17  1  0.250  0.154  0.800  1.0
  Fe  Fe18  1  0.247  0.950  0.402  1.0
  Fe  Fe19  1  0.260  0.752  0.004  1.0
  O  O20  1  0.698  0.840  0.679  1.0
  O  O21  1  0.717  0.635  0.291  1.0
  O  O22  1  0.699  0.439  0.879  1.0
  O  O23  1  0.698  0.240  0.480  1.0
  O  O24  1  0.716  0.052  0.082  1.0
  O  O25  1  0.302  0.760  0.521  1.0
  O  O26  1  0.284  0.548  0.118  1.0
  O  O27  1  0.302  0.360  0.720  1.0
  O  O28  1  0.301  0.161  0.321  1.0
  O  O29  1  0.283  0.965  0.909  1.0
  O  O30  1  0.700  0.539  0.581  1.0
  O  O31  1  0.698  0.339  0.179  1.0
  O  O32  1  0.699  0.141  0.779  1.0
  O  O33  1  0.717  0.948  0.395  1.0
  O  O34  1  0.717  0.739  0.978  1.0
  O  O35  1  0.301  0.459  0.421  1.0
  O  O36  1  0.302  0.261  0.021  1.0
  O  O37  1  0.300  0.061  0.619  1.0
  O  O38  1  0.283  0.861  0.222  1.0
  O  O39  1  0.283  0.652  0.805  1.0
  O  O40  1  0.002  0.699  0.898  1.0
  O  O41  1  1.000  0.496  0.499  1.0
  O  O42  1  0.000  0.300  0.100  1.0
  O  O43  1  0.000  0.104  0.701  1.0
  O  O44  1  0.998  0.901  0.302  1.0
  O  O45  1  0.500  0.800  0.100  1.0
[/CIF]
.
The material described by Ba5Eu5(Fe5O13)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(11), two equivalent O(12), two equivalent O(2), two equivalent O(6), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Fe(5)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids, faces with two equivalent Fe(1)O5 trigonal bipyramids, and faces with two equivalent Fe(4)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), one O(5), one O(7), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Fe(5)O6 octahedra,  a faceface with one Fe(2)O5 square pyramid,  a faceface with one Fe(4)O5 trigonal bipyramid, faces with two equivalent Fe(1)O5 trigonal bipyramids, and faces with two equivalent Fe(3)O5 trigonal bipyramids. In the third Ba site, Ba(3) is bonded to one O(11), one O(13), one O(3), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(12), and two equivalent O(4) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Fe(5)O6 octahedra, faces with two equivalent Fe(2)O5 square pyramids,  a faceface with one Fe(1)O5 trigonal bipyramid, faces with two equivalent Fe(3)O5 trigonal bipyramids, and faces with two equivalent Fe(4)O5 trigonal bipyramids. There are three inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a distorted q6 geometry to one O(10), one O(14), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(1) atoms. In the second Eu site, Eu(2) is bonded in a distorted q6 geometry to one O(10), one O(14), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the third Eu site, Eu(3) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(6) atom to form FeO5 trigonal bipyramids that share corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second Fe site, Fe(2) is bonded to one O(12), one O(2), one O(4), one O(6), and one O(7) atom to form FeO5 square pyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid, corners with two equivalent Fe(4)O5 trigonal bipyramids,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the third Fe site, Fe(3) is bonded to one O(13), one O(3), one O(5), one O(7), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(12), one O(4), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Fe(2)O5 square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with two equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 square pyramid,  a cornercorner with one Fe(3)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Eu(1), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Eu(1), one Eu(2), one Fe(2), and one Fe(5) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(2), one Eu(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one Eu(2), one Eu(3), one Fe(2), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(1), one Eu(2), one Fe(3), and one Fe(5) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Eu(1), one Eu(3), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Eu(2), one Fe(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Eu(1), one Eu(3), one Fe(3), and one Fe(4) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Eu(1), one Eu(2), one Fe(4), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), one Eu(1), one Eu(2), one Fe(1), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Fe(1), and one Fe(5) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Fe(2), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Fe(3) atoms to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Eu(1), two equivalent Eu(2), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Ba5Eu5(Fe5O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.957
_cell_length_c   8.953
_cell_angle_alpha   89.909
_cell_angle_beta   114.047
_cell_angle_gamma   101.824
_symmetry_Int_Tables_number   1
_cell_volume   627.966
_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
  Ba  Ba0  1  0.000  0.800  0.600  1.0
  Ba  Ba1  1  0.000  0.602  0.199  1.0
  Ba  Ba2  1  0.003  0.402  0.802  1.0
  Ba  Ba3  1  0.997  0.198  0.398  1.0
  Ba  Ba4  1  1.000  0.998  0.001  1.0
  Eu  Eu5  1  0.500  0.895  0.812  1.0
  Eu  Eu6  1  0.500  0.705  0.388  1.0
  Eu  Eu7  1  0.500  0.512  0.005  1.0
  Eu  Eu8  1  0.500  0.300  0.600  1.0
  Eu  Eu9  1  0.500  0.088  0.195  1.0
  Fe  Fe10  1  0.753  0.650  0.798  1.0
  Fe  Fe11  1  0.750  0.446  0.400  1.0
  Fe  Fe12  1  0.750  0.253  0.999  1.0
  Fe  Fe13  1  0.750  0.051  0.603  1.0
  Fe  Fe14  1  0.740  0.848  0.196  1.0
  Fe  Fe15  1  0.250  0.549  0.597  1.0
  Fe  Fe16  1  0.250  0.347  0.201  1.0
  Fe  Fe17  1  0.250  0.154  0.800  1.0
  Fe  Fe18  1  0.247  0.950  0.402  1.0
  Fe  Fe19  1  0.260  0.752  0.004  1.0
  O  O20  1  0.698  0.840  0.679  1.0
  O  O21  1  0.717  0.635  0.291  1.0
  O  O22  1  0.699  0.439  0.879  1.0
  O  O23  1  0.698  0.240  0.480  1.0
  O  O24  1  0.716  0.052  0.082  1.0
  O  O25  1  0.302  0.760  0.521  1.0
  O  O26  1  0.284  0.548  0.118  1.0
  O  O27  1  0.302  0.360  0.720  1.0
  O  O28  1  0.301  0.161  0.321  1.0
  O  O29  1  0.283  0.965  0.909  1.0
  O  O30  1  0.700  0.539  0.581  1.0
  O  O31  1  0.698  0.339  0.179  1.0
  O  O32  1  0.699  0.141  0.779  1.0
  O  O33  1  0.717  0.948  0.395  1.0
  O  O34  1  0.717  0.739  0.978  1.0
  O  O35  1  0.301  0.459  0.421  1.0
  O  O36  1  0.302  0.261  0.021  1.0
  O  O37  1  0.300  0.061  0.619  1.0
  O  O38  1  0.283  0.861  0.222  1.0
  O  O39  1  0.283  0.652  0.805  1.0
  O  O40  1  0.002  0.699  0.898  1.0
  O  O41  1  1.000  0.496  0.499  1.0
  O  O42  1  0.000  0.300  0.100  1.0
  O  O43  1  0.000  0.104  0.701  1.0
  O  O44  1  0.998  0.901  0.302  1.0
  O  O45  1  0.500  0.800  0.100  1.0
[/CIF]
.