The crystal structure described by Pb2MnReO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form ReO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(8), and two equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 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 0-15°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form MnO6 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 8-27°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Re(2), one Mn(1), and two equivalent Pb(1) atoms. In the second O site, O(6) is bonded in a 4-coordinate geometry to one Re(1), one Mn(2), and two equivalent Pb(2) atoms. In the third O site, O(7) is bonded in a 4-coordinate geometry to one Re(1), one Mn(2), and two equivalent Pb(1) atoms. In the fourth O site, O(8) is bonded in a distorted linear geometry to one Re(2), one Mn(1), and two equivalent Pb(2) atoms. In the fifth O site, O(1) is bonded in a linear geometry to one Re(1), one Mn(1), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Re(2), one Mn(2), and two equivalent Pb(2) atoms. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Re(2), one Mn(2), and two equivalent Pb(2) atoms. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Re(2), one Mn(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_MnRe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.949
_cell_length_b   9.949
_cell_length_c   5.724
_cell_angle_alpha   73.398
_cell_angle_beta   73.398
_cell_angle_gamma   49.173
_symmetry_Int_Tables_number   1
_cell_volume   406.957
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.333  0.333  0.679  1.0
  Mn  Mn2  1  0.667  0.667  0.321  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
  Re  Re4  1  0.833  0.833  0.664  1.0
  Re  Re5  1  0.167  0.167  0.336  1.0
  Pb  Pb6  1  0.255  0.745  0.500  1.0
  Pb  Pb7  1  0.745  0.255  0.500  1.0
  Pb  Pb8  1  0.584  0.082  0.194  1.0
  Pb  Pb9  1  0.082  0.584  0.194  1.0
  Pb  Pb10  1  0.416  0.918  0.806  1.0
  Pb  Pb11  1  0.918  0.416  0.806  1.0
  O  O12  1  0.266  0.734  0.000  1.0
  O  O13  1  0.734  0.266  0.000  1.0
  O  O14  1  0.741  0.741  0.942  1.0
  O  O15  1  0.259  0.259  0.058  1.0
  O  O16  1  0.232  0.232  0.552  1.0
  O  O17  1  0.768  0.768  0.448  1.0
  O  O18  1  0.597  0.069  0.646  1.0
  O  O19  1  0.069  0.597  0.646  1.0
  O  O20  1  0.403  0.931  0.354  1.0
  O  O21  1  0.931  0.403  0.354  1.0
  O  O22  1  0.078  0.078  0.633  1.0
  O  O23  1  0.922  0.922  0.367  1.0
  O  O24  1  0.596  0.596  0.722  1.0
  O  O25  1  0.404  0.404  0.278  1.0
  O  O26  1  0.560  0.560  0.232  1.0
  O  O27  1  0.440  0.440  0.768  1.0
  O  O28  1  0.101  0.101  0.138  1.0
  O  O29  1  0.899  0.899  0.862  1.0
[/CIF]
.
The crystal structure described by Pb2MnReO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form ReO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-27°. In the second Re site, Re(2) is bonded to one O(2), one O(3), one O(5), one O(8), and two equivalent O(4) atoms to form ReO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 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 0-15°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(4) atoms to form MnO6 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 8-27°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to one Re(2), one Mn(1), and two equivalent Pb(1) atoms. In the second O site, O(6) is bonded in a 4-coordinate geometry to one Re(1), one Mn(2), and two equivalent Pb(2) atoms. In the third O site, O(7) is bonded in a 4-coordinate geometry to one Re(1), one Mn(2), and two equivalent Pb(1) atoms. In the fourth O site, O(8) is bonded in a distorted linear geometry to one Re(2), one Mn(1), and two equivalent Pb(2) atoms. In the fifth O site, O(1) is bonded in a linear geometry to one Re(1), one Mn(1), two equivalent Pb(1), and two equivalent Pb(2) atoms. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Re(2), one Mn(2), and two equivalent Pb(2) atoms. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Re(2), one Mn(2), and two equivalent Pb(2) atoms. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Re(2), one Mn(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_MnRe(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.949
_cell_length_b   9.949
_cell_length_c   5.724
_cell_angle_alpha   73.398
_cell_angle_beta   73.398
_cell_angle_gamma   49.173
_symmetry_Int_Tables_number   1
_cell_volume   406.957
_cell_formula_units_Z   3
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  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.333  0.333  0.679  1.0
  Mn  Mn2  1  0.667  0.667  0.321  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
  Re  Re4  1  0.833  0.833  0.664  1.0
  Re  Re5  1  0.167  0.167  0.336  1.0
  Pb  Pb6  1  0.255  0.745  0.500  1.0
  Pb  Pb7  1  0.745  0.255  0.500  1.0
  Pb  Pb8  1  0.584  0.082  0.194  1.0
  Pb  Pb9  1  0.082  0.584  0.194  1.0
  Pb  Pb10  1  0.416  0.918  0.806  1.0
  Pb  Pb11  1  0.918  0.416  0.806  1.0
  O  O12  1  0.266  0.734  0.000  1.0
  O  O13  1  0.734  0.266  0.000  1.0
  O  O14  1  0.741  0.741  0.942  1.0
  O  O15  1  0.259  0.259  0.058  1.0
  O  O16  1  0.232  0.232  0.552  1.0
  O  O17  1  0.768  0.768  0.448  1.0
  O  O18  1  0.597  0.069  0.646  1.0
  O  O19  1  0.069  0.597  0.646  1.0
  O  O20  1  0.403  0.931  0.354  1.0
  O  O21  1  0.931  0.403  0.354  1.0
  O  O22  1  0.078  0.078  0.633  1.0
  O  O23  1  0.922  0.922  0.367  1.0
  O  O24  1  0.596  0.596  0.722  1.0
  O  O25  1  0.404  0.404  0.278  1.0
  O  O26  1  0.560  0.560  0.232  1.0
  O  O27  1  0.440  0.440  0.768  1.0
  O  O28  1  0.101  0.101  0.138  1.0
  O  O29  1  0.899  0.899  0.862  1.0
[/CIF]
.