The material described by Mn3Fe3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(14), one O(5), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. In the third Mn site, Mn(3) is bonded to one O(12), one O(13), one O(2), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-71°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(15), one O(16), one O(3), one O(4), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-61°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-67°. In the third P site, P(3) is bonded to one O(11), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with two equivalent Mn(3)O5 square pyramids,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O6 octahedra. There are sixteen 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 trigonal planar geometry to one Mn(3), one Fe(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Fe(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Mn(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.479
_cell_length_b   6.340
_cell_length_c   8.950
_cell_angle_alpha   80.737
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.903
_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  0.615  0.597  0.061  1.0
  Mn  Mn1  1  0.115  0.403  0.939  1.0
  Mn  Mn2  1  0.428  0.417  0.727  1.0
  Mn  Mn3  1  0.928  0.583  0.273  1.0
  Mn  Mn4  1  0.570  0.080  0.280  1.0
  Mn  Mn5  1  0.070  0.920  0.720  1.0
  Fe  Fe6  1  0.304  0.637  0.366  1.0
  Fe  Fe7  1  0.804  0.363  0.634  1.0
  Fe  Fe8  1  0.696  0.862  0.633  1.0
  Fe  Fe9  1  0.196  0.138  0.367  1.0
  Fe  Fe10  1  0.386  0.887  0.929  1.0
  Fe  Fe11  1  0.886  0.113  0.071  1.0
  P  P12  1  0.361  0.371  0.092  1.0
  P  P13  1  0.861  0.629  0.908  1.0
  P  P14  1  0.640  0.130  0.908  1.0
  P  P15  1  0.140  0.870  0.092  1.0
  P  P16  1  0.415  0.943  0.607  1.0
  P  P17  1  0.915  0.057  0.393  1.0
  P  P18  1  0.585  0.557  0.393  1.0
  P  P19  1  0.085  0.443  0.607  1.0
  O  O20  1  0.294  0.366  0.942  1.0
  O  O21  1  0.794  0.634  0.058  1.0
  O  O22  1  0.711  0.132  0.056  1.0
  O  O23  1  0.211  0.868  0.944  1.0
  O  O24  1  0.325  0.928  0.480  1.0
  O  O25  1  0.825  0.072  0.520  1.0
  O  O26  1  0.675  0.570  0.521  1.0
  O  O27  1  0.175  0.430  0.479  1.0
  O  O28  1  0.414  0.736  0.727  1.0
  O  O29  1  0.914  0.264  0.273  1.0
  O  O30  1  0.587  0.763  0.274  1.0
  O  O31  1  0.087  0.237  0.726  1.0
  O  O32  1  0.539  0.984  0.537  1.0
  O  O33  1  0.039  0.016  0.463  1.0
  O  O34  1  0.461  0.516  0.463  1.0
  O  O35  1  0.961  0.484  0.537  1.0
  O  O36  1  0.432  0.582  0.074  1.0
  O  O37  1  0.932  0.418  0.926  1.0
  O  O38  1  0.564  0.923  0.930  1.0
  O  O39  1  0.064  0.077  0.070  1.0
  O  O40  1  0.378  0.116  0.702  1.0
  O  O41  1  0.878  0.884  0.298  1.0
  O  O42  1  0.622  0.382  0.300  1.0
  O  O43  1  0.122  0.618  0.700  1.0
  O  O44  1  0.434  0.166  0.130  1.0
  O  O45  1  0.934  0.834  0.870  1.0
  O  O46  1  0.569  0.340  0.876  1.0
  O  O47  1  0.069  0.660  0.124  1.0
  O  O48  1  0.274  0.384  0.225  1.0
  O  O49  1  0.774  0.616  0.775  1.0
  O  O50  1  0.722  0.115  0.771  1.0
  O  O51  1  0.222  0.885  0.229  1.0
[/CIF]
.
The material described by Mn3Fe3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O5 square pyramids, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(14), one O(5), and one O(8) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. In the third Mn site, Mn(3) is bonded to one O(12), one O(13), one O(2), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-71°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(15), one O(16), one O(3), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(15), one O(16), one O(3), one O(4), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-61°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O5 square pyramid,  a cornercorner with one Mn(3)O5 square pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 53-67°. In the third P site, P(3) is bonded to one O(11), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid, corners with two equivalent Mn(2)O5 square pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 square pyramid, corners with two equivalent Mn(3)O5 square pyramids,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O6 octahedra. There are sixteen 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 trigonal planar geometry to one Mn(3), one Fe(3), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Fe(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Fe(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(2), one Fe(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Mn(3) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Fe3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.479
_cell_length_b   6.340
_cell_length_c   8.950
_cell_angle_alpha   80.737
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.903
_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  0.615  0.597  0.061  1.0
  Mn  Mn1  1  0.115  0.403  0.939  1.0
  Mn  Mn2  1  0.428  0.417  0.727  1.0
  Mn  Mn3  1  0.928  0.583  0.273  1.0
  Mn  Mn4  1  0.570  0.080  0.280  1.0
  Mn  Mn5  1  0.070  0.920  0.720  1.0
  Fe  Fe6  1  0.304  0.637  0.366  1.0
  Fe  Fe7  1  0.804  0.363  0.634  1.0
  Fe  Fe8  1  0.696  0.862  0.633  1.0
  Fe  Fe9  1  0.196  0.138  0.367  1.0
  Fe  Fe10  1  0.386  0.887  0.929  1.0
  Fe  Fe11  1  0.886  0.113  0.071  1.0
  P  P12  1  0.361  0.371  0.092  1.0
  P  P13  1  0.861  0.629  0.908  1.0
  P  P14  1  0.640  0.130  0.908  1.0
  P  P15  1  0.140  0.870  0.092  1.0
  P  P16  1  0.415  0.943  0.607  1.0
  P  P17  1  0.915  0.057  0.393  1.0
  P  P18  1  0.585  0.557  0.393  1.0
  P  P19  1  0.085  0.443  0.607  1.0
  O  O20  1  0.294  0.366  0.942  1.0
  O  O21  1  0.794  0.634  0.058  1.0
  O  O22  1  0.711  0.132  0.056  1.0
  O  O23  1  0.211  0.868  0.944  1.0
  O  O24  1  0.325  0.928  0.480  1.0
  O  O25  1  0.825  0.072  0.520  1.0
  O  O26  1  0.675  0.570  0.521  1.0
  O  O27  1  0.175  0.430  0.479  1.0
  O  O28  1  0.414  0.736  0.727  1.0
  O  O29  1  0.914  0.264  0.273  1.0
  O  O30  1  0.587  0.763  0.274  1.0
  O  O31  1  0.087  0.237  0.726  1.0
  O  O32  1  0.539  0.984  0.537  1.0
  O  O33  1  0.039  0.016  0.463  1.0
  O  O34  1  0.461  0.516  0.463  1.0
  O  O35  1  0.961  0.484  0.537  1.0
  O  O36  1  0.432  0.582  0.074  1.0
  O  O37  1  0.932  0.418  0.926  1.0
  O  O38  1  0.564  0.923  0.930  1.0
  O  O39  1  0.064  0.077  0.070  1.0
  O  O40  1  0.378  0.116  0.702  1.0
  O  O41  1  0.878  0.884  0.298  1.0
  O  O42  1  0.622  0.382  0.300  1.0
  O  O43  1  0.122  0.618  0.700  1.0
  O  O44  1  0.434  0.166  0.130  1.0
  O  O45  1  0.934  0.834  0.870  1.0
  O  O46  1  0.569  0.340  0.876  1.0
  O  O47  1  0.069  0.660  0.124  1.0
  O  O48  1  0.274  0.384  0.225  1.0
  O  O49  1  0.774  0.616  0.775  1.0
  O  O50  1  0.722  0.115  0.771  1.0
  O  O51  1  0.222  0.885  0.229  1.0
[/CIF]
.