The structure described by ReMn2FeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the second Re site, Re(2) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(1), one Mn(2), one Mn(3), one Mn(4), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(2), one Mn(4), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(3), one Mn(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Re(2), one Mn(2), one Mn(3), one Mn(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(2), one Mn(4), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(3), one Mn(4), and one Fe(2) atom. In the ninth O site, O(9) is bonded to one Re(2), one Mn(3), one Mn(4), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the tenth O site, O(10) is bonded to one Re(1), one Mn(1), one Mn(2), and one Fe(1) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the eleventh O site, O(11) is bonded to one Re(2), one Mn(1), one Mn(2), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the twelfth O site, O(12) is bonded to one Re(1), one Mn(3), one Mn(4), and one Fe(1) atom to form distorted corner-sharing OMn2FeRe tetrahedra. is represented by the CIF card [CIF]
data_Mn2FeReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.423
_cell_length_c   7.744
_cell_angle_alpha   90.384
_cell_angle_beta   90.028
_cell_angle_gamma   90.105
_symmetry_Int_Tables_number   1
_cell_volume   222.264
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.508  0.447  0.249  1.0
  Mn  Mn1  1  0.995  0.949  0.246  1.0
  Mn  Mn2  1  0.007  0.052  0.756  1.0
  Mn  Mn3  1  0.492  0.553  0.748  1.0
  Fe  Fe4  1  0.001  0.500  0.998  1.0
  Fe  Fe5  1  0.501  1.000  0.500  1.0
  Re  Re6  1  1.000  0.500  0.499  1.0
  Re  Re7  1  0.501  0.001  0.002  1.0
  O  O8  1  0.158  0.802  0.567  1.0
  O  O9  1  0.681  0.698  0.067  1.0
  O  O10  1  0.841  0.196  0.433  1.0
  O  O11  1  0.320  0.303  0.933  1.0
  O  O12  1  0.192  0.812  0.941  1.0
  O  O13  1  0.687  0.672  0.441  1.0
  O  O14  1  0.811  0.187  0.058  1.0
  O  O15  1  0.308  0.323  0.560  1.0
  O  O16  1  0.619  0.940  0.764  1.0
  O  O17  1  0.119  0.558  0.259  1.0
  O  O18  1  0.380  0.061  0.238  1.0
  O  O19  1  0.881  0.444  0.741  1.0
[/CIF]
.
The structure described by ReMn2FeO6 crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the second Re site, Re(2) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ReO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Re(1)O6 octahedra and corners with four equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(1), one Mn(2), one Mn(3), one Mn(4), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(2), one Mn(4), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(3), one Mn(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Re(2), one Mn(2), one Mn(3), one Mn(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(2), one Mn(4), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Re(2), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Re(1), one Mn(1), one Mn(3), one Mn(4), and one Fe(2) atom. In the ninth O site, O(9) is bonded to one Re(2), one Mn(3), one Mn(4), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the tenth O site, O(10) is bonded to one Re(1), one Mn(1), one Mn(2), and one Fe(1) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the eleventh O site, O(11) is bonded to one Re(2), one Mn(1), one Mn(2), and one Fe(2) atom to form distorted corner-sharing OMn2FeRe tetrahedra. In the twelfth O site, O(12) is bonded to one Re(1), one Mn(3), one Mn(4), and one Fe(1) atom to form distorted corner-sharing OMn2FeRe tetrahedra. is represented by the CIF card [CIF]
data_Mn2FeReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.292
_cell_length_b   5.423
_cell_length_c   7.744
_cell_angle_alpha   90.384
_cell_angle_beta   90.028
_cell_angle_gamma   90.105
_symmetry_Int_Tables_number   1
_cell_volume   222.264
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.508  0.447  0.249  1.0
  Mn  Mn1  1  0.995  0.949  0.246  1.0
  Mn  Mn2  1  0.007  0.052  0.756  1.0
  Mn  Mn3  1  0.492  0.553  0.748  1.0
  Fe  Fe4  1  0.001  0.500  0.998  1.0
  Fe  Fe5  1  0.501  1.000  0.500  1.0
  Re  Re6  1  1.000  0.500  0.499  1.0
  Re  Re7  1  0.501  0.001  0.002  1.0
  O  O8  1  0.158  0.802  0.567  1.0
  O  O9  1  0.681  0.698  0.067  1.0
  O  O10  1  0.841  0.196  0.433  1.0
  O  O11  1  0.320  0.303  0.933  1.0
  O  O12  1  0.192  0.812  0.941  1.0
  O  O13  1  0.687  0.672  0.441  1.0
  O  O14  1  0.811  0.187  0.058  1.0
  O  O15  1  0.308  0.323  0.560  1.0
  O  O16  1  0.619  0.940  0.764  1.0
  O  O17  1  0.119  0.558  0.259  1.0
  O  O18  1  0.380  0.061  0.238  1.0
  O  O19  1  0.881  0.444  0.741  1.0
[/CIF]
.