The material structure described by Sr2FeReO6 crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(4), one O(5), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(4), one O(5), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(15) atoms to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Re site, Re(2) is bonded to one O(2), one O(8), two equivalent O(12), and two equivalent O(13) atoms to form ReO6 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, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Re site, Re(3) is bonded to one O(3), one O(5), two equivalent O(16), and two equivalent O(9) atoms to form ReO6 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, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the fourth Re site, Re(4) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(14) atoms to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), two equivalent O(10), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra,  a cornercorner with one Re(3)O6 octahedra, corners with two equivalent Re(1)O6 octahedra, and corners with two equivalent Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Fe site, Fe(2) is bonded to one O(4), one O(6), two equivalent O(12), and two equivalent O(16) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Fe site, Fe(3) is bonded to one O(1), one O(7), two equivalent O(13), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(8), two equivalent O(11), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra,  a cornercorner with one Re(3)O6 octahedra, corners with two equivalent Re(1)O6 octahedra, and corners with two equivalent Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the fifth Fe site, Fe(3) is bonded to one O(1), one O(7), two equivalent O(13), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(1), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(2), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(4), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(2), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(3), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(4), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(2), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(2), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(4), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(1), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Sr2FeReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.650
_cell_length_c   5.695
_cell_angle_alpha   119.540
_cell_angle_beta   119.417
_cell_angle_gamma   90.342
_symmetry_Int_Tables_number   1
_cell_volume   129.659
_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
  Fe  Fe0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.241  0.241  0.482  1.0
  O  O2  1  0.759  0.759  0.518  1.0
  O  O3  1  0.285  0.193  1.000  1.0
  O  O4  1  0.809  0.281  1.000  1.0
  O  O5  1  0.191  0.719  0.000  1.0
  O  O6  1  0.715  0.807  0.000  1.0
  Re  Re7  1  0.000  0.000  0.000  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Sr  Sr9  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material structure described by Sr2FeReO6 crystallizes in the monoclinic C2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(4), one O(5), one O(8), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(4), one O(5), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(6), two equivalent O(10), and two equivalent O(15) atoms to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Re site, Re(2) is bonded to one O(2), one O(8), two equivalent O(12), and two equivalent O(13) atoms to form ReO6 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, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Re site, Re(3) is bonded to one O(3), one O(5), two equivalent O(16), and two equivalent O(9) atoms to form ReO6 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, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the fourth Re site, Re(4) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(14) atoms to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(5), two equivalent O(10), and two equivalent O(14) atoms to form FeO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra,  a cornercorner with one Re(3)O6 octahedra, corners with two equivalent Re(1)O6 octahedra, and corners with two equivalent Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Fe site, Fe(2) is bonded to one O(4), one O(6), two equivalent O(12), and two equivalent O(16) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the third Fe site, Fe(3) is bonded to one O(1), one O(7), two equivalent O(13), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(8), two equivalent O(11), and two equivalent O(15) atoms to form FeO6 octahedra that share  a cornercorner with one Re(2)O6 octahedra,  a cornercorner with one Re(3)O6 octahedra, corners with two equivalent Re(1)O6 octahedra, and corners with two equivalent Re(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the fifth Fe site, Fe(3) is bonded to one O(1), one O(7), two equivalent O(13), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Re(1)O6 octahedra,  a cornercorner with one Re(4)O6 octahedra, corners with two equivalent Re(2)O6 octahedra, and corners with two equivalent Re(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(1), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(2), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Re(4), and one Fe(3) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Re(2), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OSr4FeRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(3), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(4), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(2), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(2), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(4), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(1), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Re(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Sr2FeReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.628
_cell_length_b   5.650
_cell_length_c   5.695
_cell_angle_alpha   119.540
_cell_angle_beta   119.417
_cell_angle_gamma   90.342
_symmetry_Int_Tables_number   1
_cell_volume   129.659
_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
  Fe  Fe0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.241  0.241  0.482  1.0
  O  O2  1  0.759  0.759  0.518  1.0
  O  O3  1  0.285  0.193  1.000  1.0
  O  O4  1  0.809  0.281  1.000  1.0
  O  O5  1  0.191  0.719  0.000  1.0
  O  O6  1  0.715  0.807  0.000  1.0
  Re  Re7  1  0.000  0.000  0.000  1.0
  Sr  Sr8  1  0.750  0.250  0.500  1.0
  Sr  Sr9  1  0.250  0.750  0.500  1.0
[/CIF]
.