The structure described by MnFe2(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two 7782-44-7 molecules inside a MnFe2(PO7)2 framework. In the MnFe2(PO7)2 framework, Mn(1) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form distorted MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one O(15) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one O(16) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mn(1) atom. In the twelfth O site, O(13) is bonded in a single-bond geometry to one Mn(1) atom. In the thirteenth O site, O(15) is bonded in a 2-coordinate geometry to one Fe(2) and one O(9) atom. In the fourteenth O site, O(16) is bonded in a single-bond geometry to one O(10) atom. is represented by the CIF card [CIF]
data_MnFe2(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.910
_cell_length_b   10.206
_cell_length_c   10.238
_cell_angle_alpha   118.984
_cell_angle_beta   89.778
_cell_angle_gamma   91.236
_symmetry_Int_Tables_number   1
_cell_volume   722.775
_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  0.829  0.074  0.462  1.0
  Mn  Mn1  1  0.171  0.926  0.538  1.0
  Fe  Fe2  1  0.830  0.702  0.014  1.0
  Fe  Fe3  1  0.170  0.298  0.986  1.0
  Fe  Fe4  1  0.650  0.211  0.983  1.0
  Fe  Fe5  1  0.350  0.789  0.017  1.0
  P  P6  1  0.893  0.347  0.798  1.0
  P  P7  1  0.107  0.653  0.202  1.0
  P  P8  1  0.632  0.029  0.183  1.0
  P  P9  1  0.368  0.971  0.817  1.0
  O  O10  1  0.853  0.260  0.628  1.0
  O  O11  1  0.147  0.740  0.372  1.0
  O  O12  1  0.869  0.513  0.844  1.0
  O  O13  1  0.131  0.487  0.156  1.0
  O  O14  1  0.773  0.299  0.886  1.0
  O  O15  1  0.227  0.701  0.114  1.0
  O  O16  1  0.079  0.321  0.828  1.0
  O  O17  1  0.921  0.679  0.172  1.0
  O  O18  1  0.758  0.903  0.093  1.0
  O  O19  1  0.242  0.097  0.907  1.0
  O  O20  1  0.626  0.140  0.123  1.0
  O  O21  1  0.374  0.860  0.877  1.0
  O  O22  1  0.693  0.124  0.350  1.0
  O  O23  1  0.307  0.876  0.650  1.0
  O  O24  1  0.454  0.963  0.182  1.0
  O  O25  1  0.546  0.037  0.818  1.0
  O  O26  1  0.563  0.660  0.994  1.0
  O  O27  1  0.437  0.340  0.006  1.0
  O  O28  1  0.949  0.222  0.060  1.0
  O  O29  1  0.051  0.778  0.940  1.0
  O  O30  1  0.002  0.020  0.365  1.0
  O  O31  1  0.998  0.980  0.635  1.0
  O  O32  1  0.513  0.660  0.412  1.0
  O  O33  1  0.487  0.340  0.588  1.0
  O  O34  1  0.731  0.943  0.478  1.0
  O  O35  1  0.269  0.057  0.522  1.0
  O  O36  1  0.577  0.430  0.571  1.0
  O  O37  1  0.423  0.570  0.429  1.0
  O  O38  1  0.525  0.408  0.135  1.0
  O  O39  1  0.475  0.592  0.865  1.0
  O  O40  1  0.012  0.799  0.831  1.0
  O  O41  1  0.988  0.201  0.169  1.0
[/CIF]
.
The structure described by MnFe2(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two 7782-44-7 molecules inside a MnFe2(PO7)2 framework. In the MnFe2(PO7)2 framework, Mn(1) is bonded to one O(1), one O(11), one O(13), and one O(7) atom to form distorted MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra and  a cornercorner with one Fe(1)O5 trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one O(15) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one O(16) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mn(1) atom. In the twelfth O site, O(13) is bonded in a single-bond geometry to one Mn(1) atom. In the thirteenth O site, O(15) is bonded in a 2-coordinate geometry to one Fe(2) and one O(9) atom. In the fourteenth O site, O(16) is bonded in a single-bond geometry to one O(10) atom. is represented by the CIF card [CIF]
data_MnFe2(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.910
_cell_length_b   10.206
_cell_length_c   10.238
_cell_angle_alpha   118.984
_cell_angle_beta   89.778
_cell_angle_gamma   91.236
_symmetry_Int_Tables_number   1
_cell_volume   722.775
_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  0.829  0.074  0.462  1.0
  Mn  Mn1  1  0.171  0.926  0.538  1.0
  Fe  Fe2  1  0.830  0.702  0.014  1.0
  Fe  Fe3  1  0.170  0.298  0.986  1.0
  Fe  Fe4  1  0.650  0.211  0.983  1.0
  Fe  Fe5  1  0.350  0.789  0.017  1.0
  P  P6  1  0.893  0.347  0.798  1.0
  P  P7  1  0.107  0.653  0.202  1.0
  P  P8  1  0.632  0.029  0.183  1.0
  P  P9  1  0.368  0.971  0.817  1.0
  O  O10  1  0.853  0.260  0.628  1.0
  O  O11  1  0.147  0.740  0.372  1.0
  O  O12  1  0.869  0.513  0.844  1.0
  O  O13  1  0.131  0.487  0.156  1.0
  O  O14  1  0.773  0.299  0.886  1.0
  O  O15  1  0.227  0.701  0.114  1.0
  O  O16  1  0.079  0.321  0.828  1.0
  O  O17  1  0.921  0.679  0.172  1.0
  O  O18  1  0.758  0.903  0.093  1.0
  O  O19  1  0.242  0.097  0.907  1.0
  O  O20  1  0.626  0.140  0.123  1.0
  O  O21  1  0.374  0.860  0.877  1.0
  O  O22  1  0.693  0.124  0.350  1.0
  O  O23  1  0.307  0.876  0.650  1.0
  O  O24  1  0.454  0.963  0.182  1.0
  O  O25  1  0.546  0.037  0.818  1.0
  O  O26  1  0.563  0.660  0.994  1.0
  O  O27  1  0.437  0.340  0.006  1.0
  O  O28  1  0.949  0.222  0.060  1.0
  O  O29  1  0.051  0.778  0.940  1.0
  O  O30  1  0.002  0.020  0.365  1.0
  O  O31  1  0.998  0.980  0.635  1.0
  O  O32  1  0.513  0.660  0.412  1.0
  O  O33  1  0.487  0.340  0.588  1.0
  O  O34  1  0.731  0.943  0.478  1.0
  O  O35  1  0.269  0.057  0.522  1.0
  O  O36  1  0.577  0.430  0.571  1.0
  O  O37  1  0.423  0.570  0.429  1.0
  O  O38  1  0.525  0.408  0.135  1.0
  O  O39  1  0.475  0.592  0.865  1.0
  O  O40  1  0.012  0.799  0.831  1.0
  O  O41  1  0.988  0.201  0.169  1.0
[/CIF]
.