The material structure described by MgFe2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent O(5) and two equivalent O(7) atoms to form distorted FeO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 trigonal bipyramids and  a cornercorner with one Fe(3)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids and  a cornercorner with one Fe(3)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the CIF file [CIF]
data_MgFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.880
_cell_length_b   8.880
_cell_length_c   16.548
_cell_angle_alpha   61.440
_cell_angle_beta   61.440
_cell_angle_gamma   33.572
_symmetry_Int_Tables_number   1
_cell_volume   625.128
_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
  Mg  Mg0  1  0.142  0.559  0.124  1.0
  Mg  Mg1  1  0.441  0.858  0.376  1.0
  Mg  Mg2  1  0.559  0.142  0.624  1.0
  Mg  Mg3  1  0.858  0.441  0.876  1.0
  Fe  Fe4  1  0.394  0.796  0.034  1.0
  Fe  Fe5  1  0.204  0.606  0.466  1.0
  Fe  Fe6  1  0.606  0.204  0.966  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.796  0.394  0.534  1.0
  Fe  Fe9  1  0.575  0.425  0.750  1.0
  Fe  Fe10  1  0.425  0.575  0.250  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.487  0.936  0.144  1.0
  P  P13  1  0.820  0.222  0.389  1.0
  P  P14  1  0.513  0.064  0.856  1.0
  P  P15  1  0.222  0.820  0.889  1.0
  P  P16  1  0.936  0.487  0.644  1.0
  P  P17  1  0.064  0.513  0.356  1.0
  P  P18  1  0.180  0.778  0.611  1.0
  P  P19  1  0.778  0.180  0.111  1.0
  O  O20  1  0.200  0.275  0.901  1.0
  O  O21  1  0.573  0.261  0.081  1.0
  O  O22  1  0.275  0.200  0.401  1.0
  O  O23  1  0.647  0.191  0.459  1.0
  O  O24  1  0.675  0.785  0.928  1.0
  O  O25  1  0.763  0.342  0.290  1.0
  O  O26  1  0.809  0.353  0.041  1.0
  O  O27  1  0.930  0.132  0.895  1.0
  O  O28  1  0.353  0.809  0.541  1.0
  O  O29  1  0.739  0.427  0.419  1.0
  O  O30  1  0.605  0.157  0.856  1.0
  O  O31  1  0.971  0.432  0.739  1.0
  O  O32  1  0.427  0.739  0.919  1.0
  O  O33  1  0.132  0.930  0.395  1.0
  O  O34  1  0.800  0.725  0.099  1.0
  O  O35  1  0.395  0.843  0.144  1.0
  O  O36  1  0.432  0.971  0.239  1.0
  O  O37  1  0.191  0.647  0.959  1.0
  O  O38  1  0.157  0.605  0.356  1.0
  O  O39  1  0.029  0.568  0.261  1.0
  O  O40  1  0.868  0.070  0.605  1.0
  O  O41  1  0.785  0.675  0.428  1.0
  O  O42  1  0.070  0.868  0.105  1.0
  O  O43  1  0.342  0.763  0.790  1.0
  O  O44  1  0.261  0.573  0.581  1.0
  O  O45  1  0.725  0.800  0.599  1.0
  O  O46  1  0.568  0.029  0.761  1.0
  O  O47  1  0.215  0.325  0.572  1.0
  O  O48  1  0.325  0.215  0.072  1.0
  O  O49  1  0.658  0.237  0.210  1.0
  O  O50  1  0.237  0.658  0.710  1.0
  O  O51  1  0.843  0.395  0.644  1.0
[/CIF]
.
The material structure described by MgFe2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a cornercorner with one Fe(3)O4 trigonal pyramid. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third Fe site, Fe(3) is bonded to two equivalent O(5) and two equivalent O(7) atoms to form distorted FeO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O5 trigonal bipyramids and  a cornercorner with one Fe(3)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids and  a cornercorner with one Fe(3)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the CIF file [CIF]
data_MgFe2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.880
_cell_length_b   8.880
_cell_length_c   16.548
_cell_angle_alpha   61.440
_cell_angle_beta   61.440
_cell_angle_gamma   33.572
_symmetry_Int_Tables_number   1
_cell_volume   625.128
_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
  Mg  Mg0  1  0.142  0.559  0.124  1.0
  Mg  Mg1  1  0.441  0.858  0.376  1.0
  Mg  Mg2  1  0.559  0.142  0.624  1.0
  Mg  Mg3  1  0.858  0.441  0.876  1.0
  Fe  Fe4  1  0.394  0.796  0.034  1.0
  Fe  Fe5  1  0.204  0.606  0.466  1.0
  Fe  Fe6  1  0.606  0.204  0.966  1.0
  Fe  Fe7  1  0.000  0.500  0.000  1.0
  Fe  Fe8  1  0.796  0.394  0.534  1.0
  Fe  Fe9  1  0.575  0.425  0.750  1.0
  Fe  Fe10  1  0.425  0.575  0.250  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.487  0.936  0.144  1.0
  P  P13  1  0.820  0.222  0.389  1.0
  P  P14  1  0.513  0.064  0.856  1.0
  P  P15  1  0.222  0.820  0.889  1.0
  P  P16  1  0.936  0.487  0.644  1.0
  P  P17  1  0.064  0.513  0.356  1.0
  P  P18  1  0.180  0.778  0.611  1.0
  P  P19  1  0.778  0.180  0.111  1.0
  O  O20  1  0.200  0.275  0.901  1.0
  O  O21  1  0.573  0.261  0.081  1.0
  O  O22  1  0.275  0.200  0.401  1.0
  O  O23  1  0.647  0.191  0.459  1.0
  O  O24  1  0.675  0.785  0.928  1.0
  O  O25  1  0.763  0.342  0.290  1.0
  O  O26  1  0.809  0.353  0.041  1.0
  O  O27  1  0.930  0.132  0.895  1.0
  O  O28  1  0.353  0.809  0.541  1.0
  O  O29  1  0.739  0.427  0.419  1.0
  O  O30  1  0.605  0.157  0.856  1.0
  O  O31  1  0.971  0.432  0.739  1.0
  O  O32  1  0.427  0.739  0.919  1.0
  O  O33  1  0.132  0.930  0.395  1.0
  O  O34  1  0.800  0.725  0.099  1.0
  O  O35  1  0.395  0.843  0.144  1.0
  O  O36  1  0.432  0.971  0.239  1.0
  O  O37  1  0.191  0.647  0.959  1.0
  O  O38  1  0.157  0.605  0.356  1.0
  O  O39  1  0.029  0.568  0.261  1.0
  O  O40  1  0.868  0.070  0.605  1.0
  O  O41  1  0.785  0.675  0.428  1.0
  O  O42  1  0.070  0.868  0.105  1.0
  O  O43  1  0.342  0.763  0.790  1.0
  O  O44  1  0.261  0.573  0.581  1.0
  O  O45  1  0.725  0.800  0.599  1.0
  O  O46  1  0.568  0.029  0.761  1.0
  O  O47  1  0.215  0.325  0.572  1.0
  O  O48  1  0.325  0.215  0.072  1.0
  O  O49  1  0.658  0.237  0.210  1.0
  O  O50  1  0.237  0.658  0.710  1.0
  O  O51  1  0.843  0.395  0.644  1.0
[/CIF]
.