The structure described by Sr9NdFe5(MoO6)5 crystallizes in the triclinic P1 space group. There are nine inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(22), one O(25), one O(26), one O(27), one O(7), and two equivalent O(16) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(5)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(12), one O(13), one O(2), one O(21), one O(23), one O(27), one O(28), one O(3), one O(6), one O(8), and two equivalent O(17) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mo(4)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(13), one O(15), one O(22), one O(24), one O(28), one O(29), one O(3), one O(4), one O(7), one O(9), and two equivalent O(18) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Fe(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(10), one O(14), one O(15), one O(23), one O(25), one O(29), one O(30), one O(4), one O(5), one O(8), and two equivalent O(19) atoms. In the fifth Sr site, Sr(5) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(14), one O(21), one O(24), one O(26), one O(30), one O(5), one O(6), one O(9), and two equivalent O(20) atoms. In the sixth Sr site, Sr(6) is bonded to one O(10), one O(12), one O(14), one O(16), one O(20), one O(21), one O(25), one O(27), one O(30), one O(6), and two equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(6)O12 cuboctahedra, corners with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. In the seventh Sr site, Sr(7) is bonded in a 12-coordinate geometry to one O(11), one O(13), one O(16), one O(17), one O(21), one O(22), one O(26), one O(28), one O(6), one O(7), and two equivalent O(2) atoms. In the eighth Sr site, Sr(8) is bonded to one O(12), one O(15), one O(17), one O(18), one O(22), one O(23), one O(27), one O(29), one O(7), one O(8), and two equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(6)O12 cuboctahedra, corners with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mo(5)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the ninth Sr site, Sr(9) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(19), one O(20), one O(24), one O(25), one O(26), one O(29), one O(9), and two equivalent O(5) atoms. Nd(1) is bonded in a 12-coordinate geometry to one O(13), one O(14), one O(18), one O(19), one O(23), one O(24), one O(28), one O(30), one O(8), one O(9), and two equivalent O(4) atoms. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(16), one O(25), one O(26), and one O(5) atom to form MoO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a faceface with one Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(20), one O(21), one O(26), and one O(6) atom to form MoO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, and  a faceface with one Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the third Mo site, Mo(3) is bonded to one O(12), one O(16), one O(22), one O(27), one O(3), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(17), one O(23), one O(28), one O(4), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the fifth Mo site, Mo(5) is bonded to one O(15), one O(18), one O(24), one O(29), one O(5), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-23°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(17), one O(21), one O(27), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Fe site, Fe(2) is bonded to one O(13), one O(18), one O(2), one O(22), one O(28), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the third Fe site, Fe(3) is bonded to one O(15), one O(19), one O(23), one O(29), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-24°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(20), one O(24), one O(30), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, and  a faceface with one Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(14), one O(19), one O(25), and one O(30) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-20°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(5), two equivalent Sr(6), one Fe(1), and one Fe(5) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, edges with two equivalent O(20)Sr4FeMo octahedra, and edges with two equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), two equivalent Sr(7), one Mo(2), and one Fe(2) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra, corners with two equivalent O(2)Sr4FeMo octahedra, edges with two equivalent O(17)Sr4FeMo octahedra, and edges with two equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Sr(2), one Sr(3), two equivalent Sr(8), one Mo(3), and one Fe(3) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(3)Sr4FeMo octahedra, and edges with two equivalent O(17)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Sr(3), one Sr(4), two equivalent Nd(1), one Mo(4), and one Fe(4) atom to form distorted OSr2Nd2FeMo octahedra that share  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(4)Sr2Nd2FeMo octahedra, and edges with two equivalent O(19)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth O site, O(5) is bonded to one Sr(4), one Sr(5), two equivalent Sr(9), one Mo(1), and one Mo(5) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(5)Sr4Mo2 octahedra, edges with two equivalent O(19)Sr3NdFe2 octahedra, and edges with two equivalent O(20)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Sr(6), one Sr(7), one Mo(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Sr(7), one Sr(8), one Mo(3), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sr(8), one Nd(1), one Mo(4), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Sr(9), one Nd(1), one Mo(5), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), one Sr(9), one Mo(1), and one Fe(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Sr(7), one Sr(9), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(6), one Sr(8), one Mo(3), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), one Nd(1), one Mo(4), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Sr(6), one Nd(1), one Fe(4), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(8), one Sr(9), one Mo(5), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded to one Sr(6), one Sr(7), two equivalent Sr(1), one Mo(1), and one Mo(3) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(16)Sr4Mo2 octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, and edges with two equivalent O(2)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventeenth O site, O(17) is bonded to one Sr(7), one Sr(8), two equivalent Sr(2), one Mo(4), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(17)Sr4FeMo octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(3)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to one Sr(8), two equivalent Sr(3), one Nd(1), one Mo(5), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded to one Sr(9), two equivalent Sr(4), one Nd(1), one Fe(3), and one Fe(5) atom to form distorted OSr3NdFe2 octahedra that share  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra, corners with two equivalent O(19)Sr3NdFe2 octahedra, edges with two equivalent O(4)Sr2Nd2FeMo octahedra, and edges with two equivalent O(5)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the twentieth O site, O(20) is bonded to one Sr(6), one Sr(9), two equivalent Sr(5), one Mo(2), and one Fe(4) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(20)Sr4FeMo octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, and edges with two equivalent O(5)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Sr(6), one Sr(7), one Mo(2), and one Fe(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(7), one Sr(8), one Mo(3), and one Fe(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sr(8), one Nd(1), one Mo(4), and one Fe(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Sr(9), one Nd(1), one Mo(5), and one Fe(4) atom. In the twenty-fifth O site, O(25) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), one Sr(9), one Mo(1), and one Fe(5) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Sr(7), one Sr(9), one Mo(1), and one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(6), one Sr(8), one Mo(3), and one Fe(1) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), one Nd(1), one Mo(4), and one Fe(2) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(8), one Sr(9), one Mo(5), and one Fe(3) atom. In the thirtieth O site, O(30) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(5), one Sr(6), one Nd(1), one Fe(4), and one Fe(5) atom. is represented by the CIF file [CIF]
data_Sr9NdFe5(MoO6)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   9.798
_cell_length_c   12.747
_cell_angle_alpha   74.840
_cell_angle_beta   77.283
_cell_angle_gamma   73.313
_symmetry_Int_Tables_number   1
_cell_volume   642.879
_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  0.397  0.062  0.146  1.0
  Sr  Sr1  1  0.601  0.447  0.350  1.0
  Sr  Sr2  1  0.801  0.849  0.553  1.0
  Sr  Sr3  1  0.994  0.256  0.753  1.0
  Sr  Sr4  1  0.211  0.633  0.949  1.0
  Sr  Sr5  1  0.799  0.349  0.047  1.0
  Sr  Sr6  1  0.003  0.749  0.249  1.0
  Sr  Sr7  1  0.199  0.152  0.452  1.0
  Sr  Sr8  1  0.598  0.959  0.844  1.0
  Nd  Nd9  1  0.408  0.529  0.666  1.0
  Fe  Fe10  1  0.202  0.401  0.198  1.0
  Fe  Fe11  1  0.398  0.798  0.401  1.0
  Fe  Fe12  1  0.601  0.199  0.602  1.0
  Fe  Fe13  1  0.801  0.598  0.800  1.0
  Fe  Fe14  1  0.399  0.301  0.901  1.0
  Mo  Mo15  1  0.002  1.000  0.998  1.0
  Mo  Mo16  1  0.602  0.697  0.101  1.0
  Mo  Mo17  1  0.798  0.100  0.304  1.0
  Mo  Mo18  1  1.000  0.502  0.499  1.0
  Mo  Mo19  1  0.200  0.898  0.697  1.0
  O  O20  1  0.294  0.350  0.051  1.0
  O  O21  1  0.504  0.748  0.247  1.0
  O  O22  1  0.695  0.155  0.451  1.0
  O  O23  1  0.898  0.552  0.649  1.0
  O  O24  1  0.110  0.942  0.844  1.0
  O  O25  1  0.355  0.574  0.143  1.0
  O  O26  1  0.567  0.972  0.346  1.0
  O  O27  1  0.736  0.385  0.545  1.0
  O  O28  1  0.946  0.776  0.741  1.0
  O  O29  1  0.158  0.169  0.940  1.0
  O  O30  1  0.334  0.874  0.043  1.0
  O  O31  1  0.526  0.270  0.246  1.0
  O  O32  1  0.746  0.672  0.440  1.0
  O  O33  1  0.133  0.475  0.835  1.0
  O  O34  1  0.934  0.076  0.642  1.0
  O  O35  1  0.900  0.051  0.153  1.0
  O  O36  1  0.095  0.453  0.349  1.0
  O  O37  1  0.304  0.851  0.553  1.0
  O  O38  1  0.494  0.264  0.744  1.0
  O  O39  1  0.695  0.652  0.955  1.0
  O  O40  1  0.865  0.526  0.159  1.0
  O  O41  1  0.073  0.925  0.362  1.0
  O  O42  1  0.253  0.336  0.557  1.0
  O  O43  1  0.465  0.716  0.751  1.0
  O  O44  1  0.674  0.125  0.954  1.0
  O  O45  1  0.851  0.824  0.058  1.0
  O  O46  1  0.033  0.223  0.262  1.0
  O  O47  1  0.262  0.623  0.466  1.0
  O  O48  1  0.447  0.027  0.656  1.0
  O  O49  1  0.638  0.432  0.854  1.0
[/CIF]
.
The structure described by Sr9NdFe5(MoO6)5 crystallizes in the triclinic P1 space group. There are nine inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(22), one O(25), one O(26), one O(27), one O(7), and two equivalent O(16) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with two equivalent Sr(6)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(5)O6 octahedra, faces with two equivalent Mo(1)O6 octahedra, and faces with two equivalent Mo(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(12), one O(13), one O(2), one O(21), one O(23), one O(27), one O(28), one O(3), one O(6), one O(8), and two equivalent O(17) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mo(4)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(13), one O(15), one O(22), one O(24), one O(28), one O(29), one O(3), one O(4), one O(7), one O(9), and two equivalent O(18) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Fe(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with two equivalent Mo(5)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(10), one O(14), one O(15), one O(23), one O(25), one O(29), one O(30), one O(4), one O(5), one O(8), and two equivalent O(19) atoms. In the fifth Sr site, Sr(5) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(14), one O(21), one O(24), one O(26), one O(30), one O(5), one O(6), one O(9), and two equivalent O(20) atoms. In the sixth Sr site, Sr(6) is bonded to one O(10), one O(12), one O(14), one O(16), one O(20), one O(21), one O(25), one O(27), one O(30), one O(6), and two equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(6)O12 cuboctahedra, corners with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Fe(4)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, and faces with two equivalent Fe(5)O6 octahedra. In the seventh Sr site, Sr(7) is bonded in a 12-coordinate geometry to one O(11), one O(13), one O(16), one O(17), one O(21), one O(22), one O(26), one O(28), one O(6), one O(7), and two equivalent O(2) atoms. In the eighth Sr site, Sr(8) is bonded to one O(12), one O(15), one O(17), one O(18), one O(22), one O(23), one O(27), one O(29), one O(7), one O(8), and two equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(6)O12 cuboctahedra, corners with two equivalent Sr(8)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mo(5)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(2)O6 octahedra, faces with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the ninth Sr site, Sr(9) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(19), one O(20), one O(24), one O(25), one O(26), one O(29), one O(9), and two equivalent O(5) atoms. Nd(1) is bonded in a 12-coordinate geometry to one O(13), one O(14), one O(18), one O(19), one O(23), one O(24), one O(28), one O(30), one O(8), one O(9), and two equivalent O(4) atoms. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(16), one O(25), one O(26), and one O(5) atom to form MoO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a faceface with one Sr(6)O12 cuboctahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(20), one O(21), one O(26), and one O(6) atom to form MoO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, and  a faceface with one Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the third Mo site, Mo(3) is bonded to one O(12), one O(16), one O(22), one O(27), one O(3), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(6)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(17), one O(23), one O(28), one O(4), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the fifth Mo site, Mo(5) is bonded to one O(15), one O(18), one O(24), one O(29), one O(5), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-23°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(17), one O(21), one O(27), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Mo(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Fe site, Fe(2) is bonded to one O(13), one O(18), one O(2), one O(22), one O(28), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(8)O12 cuboctahedra, and faces with two equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the third Fe site, Fe(3) is bonded to one O(15), one O(19), one O(23), one O(29), one O(3), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-24°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(20), one O(24), one O(30), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, and  a faceface with one Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(14), one O(19), one O(25), and one O(30) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-20°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(5), two equivalent Sr(6), one Fe(1), and one Fe(5) atom to form distorted OSr4Fe2 octahedra that share  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, edges with two equivalent O(20)Sr4FeMo octahedra, and edges with two equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), two equivalent Sr(7), one Mo(2), and one Fe(2) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra, corners with two equivalent O(2)Sr4FeMo octahedra, edges with two equivalent O(17)Sr4FeMo octahedra, and edges with two equivalent O(16)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Sr(2), one Sr(3), two equivalent Sr(8), one Mo(3), and one Fe(3) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(3)Sr4FeMo octahedra, and edges with two equivalent O(17)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Sr(3), one Sr(4), two equivalent Nd(1), one Mo(4), and one Fe(4) atom to form distorted OSr2Nd2FeMo octahedra that share  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(4)Sr2Nd2FeMo octahedra, and edges with two equivalent O(19)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth O site, O(5) is bonded to one Sr(4), one Sr(5), two equivalent Sr(9), one Mo(1), and one Mo(5) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(5)Sr4Mo2 octahedra, edges with two equivalent O(19)Sr3NdFe2 octahedra, and edges with two equivalent O(20)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Sr(6), one Sr(7), one Mo(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Sr(7), one Sr(8), one Mo(3), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sr(8), one Nd(1), one Mo(4), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Sr(9), one Nd(1), one Mo(5), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), one Sr(9), one Mo(1), and one Fe(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Sr(7), one Sr(9), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(6), one Sr(8), one Mo(3), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), one Nd(1), one Mo(4), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Sr(6), one Nd(1), one Fe(4), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(8), one Sr(9), one Mo(5), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded to one Sr(6), one Sr(7), two equivalent Sr(1), one Mo(1), and one Mo(3) atom to form distorted OSr4Mo2 octahedra that share  a cornercorner with one O(17)Sr4FeMo octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra,  a cornercorner with one O(5)Sr4Mo2 octahedra, corners with two equivalent O(16)Sr4Mo2 octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, and edges with two equivalent O(2)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventeenth O site, O(17) is bonded to one Sr(7), one Sr(8), two equivalent Sr(2), one Mo(4), and one Fe(1) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(17)Sr4FeMo octahedra, edges with two equivalent O(2)Sr4FeMo octahedra, and edges with two equivalent O(3)Sr4FeMo octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eighteenth O site, O(18) is bonded in a distorted linear geometry to one Sr(8), two equivalent Sr(3), one Nd(1), one Mo(5), and one Fe(2) atom. In the nineteenth O site, O(19) is bonded to one Sr(9), two equivalent Sr(4), one Nd(1), one Fe(3), and one Fe(5) atom to form distorted OSr3NdFe2 octahedra that share  a cornercorner with one O(1)Sr4Fe2 octahedra,  a cornercorner with one O(20)Sr4FeMo octahedra,  a cornercorner with one O(3)Sr4FeMo octahedra, corners with two equivalent O(19)Sr3NdFe2 octahedra, edges with two equivalent O(4)Sr2Nd2FeMo octahedra, and edges with two equivalent O(5)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the twentieth O site, O(20) is bonded to one Sr(6), one Sr(9), two equivalent Sr(5), one Mo(2), and one Fe(4) atom to form distorted OSr4FeMo octahedra that share  a cornercorner with one O(4)Sr2Nd2FeMo octahedra,  a cornercorner with one O(19)Sr3NdFe2 octahedra,  a cornercorner with one O(2)Sr4FeMo octahedra,  a cornercorner with one O(16)Sr4Mo2 octahedra, corners with two equivalent O(20)Sr4FeMo octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, and edges with two equivalent O(5)Sr4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Sr(6), one Sr(7), one Mo(2), and one Fe(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(7), one Sr(8), one Mo(3), and one Fe(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(4), one Sr(8), one Nd(1), one Mo(4), and one Fe(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Sr(9), one Nd(1), one Mo(5), and one Fe(4) atom. In the twenty-fifth O site, O(25) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(6), one Sr(9), one Mo(1), and one Fe(5) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Sr(7), one Sr(9), one Mo(1), and one Mo(2) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(6), one Sr(8), one Mo(3), and one Fe(1) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(7), one Nd(1), one Mo(4), and one Fe(2) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Sr(8), one Sr(9), one Mo(5), and one Fe(3) atom. In the thirtieth O site, O(30) is bonded in a 6-coordinate geometry to one Sr(4), one Sr(5), one Sr(6), one Nd(1), one Fe(4), and one Fe(5) atom. is represented by the CIF file [CIF]
data_Sr9NdFe5(MoO6)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   9.798
_cell_length_c   12.747
_cell_angle_alpha   74.840
_cell_angle_beta   77.283
_cell_angle_gamma   73.313
_symmetry_Int_Tables_number   1
_cell_volume   642.879
_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  0.397  0.062  0.146  1.0
  Sr  Sr1  1  0.601  0.447  0.350  1.0
  Sr  Sr2  1  0.801  0.849  0.553  1.0
  Sr  Sr3  1  0.994  0.256  0.753  1.0
  Sr  Sr4  1  0.211  0.633  0.949  1.0
  Sr  Sr5  1  0.799  0.349  0.047  1.0
  Sr  Sr6  1  0.003  0.749  0.249  1.0
  Sr  Sr7  1  0.199  0.152  0.452  1.0
  Sr  Sr8  1  0.598  0.959  0.844  1.0
  Nd  Nd9  1  0.408  0.529  0.666  1.0
  Fe  Fe10  1  0.202  0.401  0.198  1.0
  Fe  Fe11  1  0.398  0.798  0.401  1.0
  Fe  Fe12  1  0.601  0.199  0.602  1.0
  Fe  Fe13  1  0.801  0.598  0.800  1.0
  Fe  Fe14  1  0.399  0.301  0.901  1.0
  Mo  Mo15  1  0.002  1.000  0.998  1.0
  Mo  Mo16  1  0.602  0.697  0.101  1.0
  Mo  Mo17  1  0.798  0.100  0.304  1.0
  Mo  Mo18  1  1.000  0.502  0.499  1.0
  Mo  Mo19  1  0.200  0.898  0.697  1.0
  O  O20  1  0.294  0.350  0.051  1.0
  O  O21  1  0.504  0.748  0.247  1.0
  O  O22  1  0.695  0.155  0.451  1.0
  O  O23  1  0.898  0.552  0.649  1.0
  O  O24  1  0.110  0.942  0.844  1.0
  O  O25  1  0.355  0.574  0.143  1.0
  O  O26  1  0.567  0.972  0.346  1.0
  O  O27  1  0.736  0.385  0.545  1.0
  O  O28  1  0.946  0.776  0.741  1.0
  O  O29  1  0.158  0.169  0.940  1.0
  O  O30  1  0.334  0.874  0.043  1.0
  O  O31  1  0.526  0.270  0.246  1.0
  O  O32  1  0.746  0.672  0.440  1.0
  O  O33  1  0.133  0.475  0.835  1.0
  O  O34  1  0.934  0.076  0.642  1.0
  O  O35  1  0.900  0.051  0.153  1.0
  O  O36  1  0.095  0.453  0.349  1.0
  O  O37  1  0.304  0.851  0.553  1.0
  O  O38  1  0.494  0.264  0.744  1.0
  O  O39  1  0.695  0.652  0.955  1.0
  O  O40  1  0.865  0.526  0.159  1.0
  O  O41  1  0.073  0.925  0.362  1.0
  O  O42  1  0.253  0.336  0.557  1.0
  O  O43  1  0.465  0.716  0.751  1.0
  O  O44  1  0.674  0.125  0.954  1.0
  O  O45  1  0.851  0.824  0.058  1.0
  O  O46  1  0.033  0.223  0.262  1.0
  O  O47  1  0.262  0.623  0.466  1.0
  O  O48  1  0.447  0.027  0.656  1.0
  O  O49  1  0.638  0.432  0.854  1.0
[/CIF]
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