The material described by Sr6Fe5Ag3(Se2O5)2 crystallizes in the orthorhombic C222 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Se(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form FeO5 square pyramids that share corners with five equivalent Fe(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Ag(2), two equivalent Ag(3), and four equivalent Se(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted tetrahedral geometry to four equivalent Se(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent Fe(2) and four equivalent Se(1) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent Fe(2) and four equivalent Se(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Sr(2), one Fe(2), one Ag(1), one Ag(2), and one Ag(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Sr6Fe5Ag3(Se2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.693
_cell_length_b   14.693
_cell_length_c   5.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.518
_symmetry_Int_Tables_number   1
_cell_volume   473.053
_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  0.500  0.000  0.752  1.0
  Sr  Sr1  1  0.000  0.500  0.248  1.0
  Sr  Sr2  1  0.130  0.374  0.251  1.0
  Sr  Sr3  1  0.626  0.870  0.749  1.0
  Sr  Sr4  1  0.374  0.130  0.749  1.0
  Sr  Sr5  1  0.870  0.626  0.251  1.0
  Fe  Fe6  1  0.066  0.432  0.750  1.0
  Fe  Fe7  1  0.568  0.934  0.250  1.0
  Fe  Fe8  1  0.432  0.066  0.250  1.0
  Fe  Fe9  1  0.934  0.568  0.750  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Ag  Ag11  1  0.500  0.500  0.500  1.0
  Ag  Ag12  1  0.500  0.500  0.000  1.0
  Ag  Ag13  1  0.000  0.000  0.500  1.0
  Se  Se14  1  0.174  0.299  0.763  1.0
  Se  Se15  1  0.701  0.826  0.237  1.0
  Se  Se16  1  0.299  0.174  0.237  1.0
  Se  Se17  1  0.826  0.701  0.763  1.0
  O  O18  1  0.500  0.000  0.247  1.0
  O  O19  1  0.000  0.500  0.753  1.0
  O  O20  1  0.328  0.672  0.500  1.0
  O  O21  1  0.828  0.172  0.000  1.0
  O  O22  1  0.828  0.172  0.500  1.0
  O  O23  1  0.328  0.672  0.000  1.0
  O  O24  1  0.172  0.828  0.500  1.0
  O  O25  1  0.672  0.328  0.000  1.0
  O  O26  1  0.672  0.328  0.500  1.0
  O  O27  1  0.172  0.828  0.000  1.0
[/CIF]
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The material described by Sr6Fe5Ag3(Se2O5)2 crystallizes in the orthorhombic C222 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Se(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form FeO5 square pyramids that share corners with five equivalent Fe(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 8-coordinate geometry to two equivalent Ag(2), two equivalent Ag(3), and four equivalent Se(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted tetrahedral geometry to four equivalent Se(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent Fe(2) and four equivalent Se(1) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent Fe(2) and four equivalent Se(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent Sr(2), one Fe(2), one Ag(1), one Ag(2), and one Ag(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Sr6Fe5Ag3(Se2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.693
_cell_length_b   14.693
_cell_length_c   5.730
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.518
_symmetry_Int_Tables_number   1
_cell_volume   473.053
_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  0.500  0.000  0.752  1.0
  Sr  Sr1  1  0.000  0.500  0.248  1.0
  Sr  Sr2  1  0.130  0.374  0.251  1.0
  Sr  Sr3  1  0.626  0.870  0.749  1.0
  Sr  Sr4  1  0.374  0.130  0.749  1.0
  Sr  Sr5  1  0.870  0.626  0.251  1.0
  Fe  Fe6  1  0.066  0.432  0.750  1.0
  Fe  Fe7  1  0.568  0.934  0.250  1.0
  Fe  Fe8  1  0.432  0.066  0.250  1.0
  Fe  Fe9  1  0.934  0.568  0.750  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Ag  Ag11  1  0.500  0.500  0.500  1.0
  Ag  Ag12  1  0.500  0.500  0.000  1.0
  Ag  Ag13  1  0.000  0.000  0.500  1.0
  Se  Se14  1  0.174  0.299  0.763  1.0
  Se  Se15  1  0.701  0.826  0.237  1.0
  Se  Se16  1  0.299  0.174  0.237  1.0
  Se  Se17  1  0.826  0.701  0.763  1.0
  O  O18  1  0.500  0.000  0.247  1.0
  O  O19  1  0.000  0.500  0.753  1.0
  O  O20  1  0.328  0.672  0.500  1.0
  O  O21  1  0.828  0.172  0.000  1.0
  O  O22  1  0.828  0.172  0.500  1.0
  O  O23  1  0.328  0.672  0.000  1.0
  O  O24  1  0.172  0.828  0.500  1.0
  O  O25  1  0.672  0.328  0.000  1.0
  O  O26  1  0.672  0.328  0.500  1.0
  O  O27  1  0.172  0.828  0.000  1.0
[/CIF]
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