The structure described by BiMn2PO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. P(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids and corners with three equivalent Mn(2)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2BiPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   8.222
_cell_length_c   12.327
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.458
_cell_formula_units_Z   4
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  0.750  0.293  0.099  1.0
  Mn  Mn1  1  0.750  0.207  0.599  1.0
  Mn  Mn2  1  0.250  0.707  0.901  1.0
  Mn  Mn3  1  0.250  0.309  0.897  1.0
  Mn  Mn4  1  0.750  0.691  0.103  1.0
  Mn  Mn5  1  0.250  0.191  0.397  1.0
  Mn  Mn6  1  0.250  0.793  0.401  1.0
  Mn  Mn7  1  0.750  0.809  0.603  1.0
  Bi  Bi8  1  0.750  0.513  0.407  1.0
  Bi  Bi9  1  0.250  0.487  0.593  1.0
  Bi  Bi10  1  0.750  0.987  0.907  1.0
  Bi  Bi11  1  0.250  0.013  0.093  1.0
  P  P12  1  0.250  0.471  0.198  1.0
  P  P13  1  0.250  0.029  0.698  1.0
  P  P14  1  0.750  0.529  0.802  1.0
  P  P15  1  0.750  0.971  0.302  1.0
  O  O16  1  0.487  0.007  0.627  1.0
  O  O17  1  0.987  0.993  0.373  1.0
  O  O18  1  0.750  0.793  0.259  1.0
  O  O19  1  0.513  0.993  0.373  1.0
  O  O20  1  0.502  0.667  0.506  1.0
  O  O21  1  0.498  0.333  0.494  1.0
  O  O22  1  0.250  0.293  0.241  1.0
  O  O23  1  0.750  0.707  0.759  1.0
  O  O24  1  0.250  0.905  0.792  1.0
  O  O25  1  0.998  0.667  0.506  1.0
  O  O26  1  0.513  0.507  0.873  1.0
  O  O27  1  0.998  0.833  0.006  1.0
  O  O28  1  0.498  0.167  0.994  1.0
  O  O29  1  0.002  0.333  0.494  1.0
  O  O30  1  0.250  0.595  0.292  1.0
  O  O31  1  0.013  0.493  0.127  1.0
  O  O32  1  0.987  0.507  0.873  1.0
  O  O33  1  0.750  0.095  0.208  1.0
  O  O34  1  0.750  0.405  0.708  1.0
  O  O35  1  0.002  0.167  0.994  1.0
  O  O36  1  0.502  0.833  0.006  1.0
  O  O37  1  0.487  0.493  0.127  1.0
  O  O38  1  0.013  0.007  0.627  1.0
  O  O39  1  0.250  0.207  0.741  1.0
[/CIF]
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The structure described by BiMn2PO6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Bi(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. P(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids and corners with three equivalent Mn(2)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a linear geometry to one Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2BiPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   8.222
_cell_length_c   12.327
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.458
_cell_formula_units_Z   4
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  0.750  0.293  0.099  1.0
  Mn  Mn1  1  0.750  0.207  0.599  1.0
  Mn  Mn2  1  0.250  0.707  0.901  1.0
  Mn  Mn3  1  0.250  0.309  0.897  1.0
  Mn  Mn4  1  0.750  0.691  0.103  1.0
  Mn  Mn5  1  0.250  0.191  0.397  1.0
  Mn  Mn6  1  0.250  0.793  0.401  1.0
  Mn  Mn7  1  0.750  0.809  0.603  1.0
  Bi  Bi8  1  0.750  0.513  0.407  1.0
  Bi  Bi9  1  0.250  0.487  0.593  1.0
  Bi  Bi10  1  0.750  0.987  0.907  1.0
  Bi  Bi11  1  0.250  0.013  0.093  1.0
  P  P12  1  0.250  0.471  0.198  1.0
  P  P13  1  0.250  0.029  0.698  1.0
  P  P14  1  0.750  0.529  0.802  1.0
  P  P15  1  0.750  0.971  0.302  1.0
  O  O16  1  0.487  0.007  0.627  1.0
  O  O17  1  0.987  0.993  0.373  1.0
  O  O18  1  0.750  0.793  0.259  1.0
  O  O19  1  0.513  0.993  0.373  1.0
  O  O20  1  0.502  0.667  0.506  1.0
  O  O21  1  0.498  0.333  0.494  1.0
  O  O22  1  0.250  0.293  0.241  1.0
  O  O23  1  0.750  0.707  0.759  1.0
  O  O24  1  0.250  0.905  0.792  1.0
  O  O25  1  0.998  0.667  0.506  1.0
  O  O26  1  0.513  0.507  0.873  1.0
  O  O27  1  0.998  0.833  0.006  1.0
  O  O28  1  0.498  0.167  0.994  1.0
  O  O29  1  0.002  0.333  0.494  1.0
  O  O30  1  0.250  0.595  0.292  1.0
  O  O31  1  0.013  0.493  0.127  1.0
  O  O32  1  0.987  0.507  0.873  1.0
  O  O33  1  0.750  0.095  0.208  1.0
  O  O34  1  0.750  0.405  0.708  1.0
  O  O35  1  0.002  0.167  0.994  1.0
  O  O36  1  0.502  0.833  0.006  1.0
  O  O37  1  0.487  0.493  0.127  1.0
  O  O38  1  0.013  0.007  0.627  1.0
  O  O39  1  0.250  0.207  0.741  1.0
[/CIF]
.