The structure described by MgFe2(PO5)2 crystallizes in the orthorhombic Fddd space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgFe2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.940
_cell_length_b   8.956
_cell_length_c   6.619
_cell_angle_alpha   77.717
_cell_angle_beta   61.690
_cell_angle_gamma   40.593
_symmetry_Int_Tables_number   1
_cell_volume   326.221
_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
  Mg  Mg0  1  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.625  0.125  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.963  0.338  0.006  1.0
  O  O11  1  0.421  0.421  0.579  1.0
  O  O12  1  0.911  0.063  0.367  1.0
  O  O13  1  0.244  0.557  0.287  1.0
  O  O14  1  0.338  0.963  0.693  1.0
  O  O15  1  0.339  0.187  0.883  1.0
  O  O16  1  0.829  0.829  0.671  1.0
  O  O17  1  0.579  0.579  0.421  1.0
  O  O18  1  0.671  0.671  0.829  1.0
  O  O19  1  0.287  0.912  0.244  1.0
  O  O20  1  0.693  0.006  0.338  1.0
  O  O21  1  0.557  0.244  0.912  1.0
  O  O22  1  0.006  0.693  0.963  1.0
  O  O23  1  0.063  0.911  0.659  1.0
  O  O24  1  0.591  0.883  0.187  1.0
  O  O25  1  0.367  0.659  0.911  1.0
  O  O26  1  0.883  0.591  0.339  1.0
  O  O27  1  0.659  0.367  0.063  1.0
  O  O28  1  0.912  0.287  0.557  1.0
  O  O29  1  0.187  0.339  0.591  1.0
[/CIF]
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The structure described by MgFe2(PO5)2 crystallizes in the orthorhombic Fddd space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgFe2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.940
_cell_length_b   8.956
_cell_length_c   6.619
_cell_angle_alpha   77.717
_cell_angle_beta   61.690
_cell_angle_gamma   40.593
_symmetry_Int_Tables_number   1
_cell_volume   326.221
_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
  Mg  Mg0  1  0.250  0.250  0.250  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.625  0.125  0.625  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Fe  Fe5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.963  0.338  0.006  1.0
  O  O11  1  0.421  0.421  0.579  1.0
  O  O12  1  0.911  0.063  0.367  1.0
  O  O13  1  0.244  0.557  0.287  1.0
  O  O14  1  0.338  0.963  0.693  1.0
  O  O15  1  0.339  0.187  0.883  1.0
  O  O16  1  0.829  0.829  0.671  1.0
  O  O17  1  0.579  0.579  0.421  1.0
  O  O18  1  0.671  0.671  0.829  1.0
  O  O19  1  0.287  0.912  0.244  1.0
  O  O20  1  0.693  0.006  0.338  1.0
  O  O21  1  0.557  0.244  0.912  1.0
  O  O22  1  0.006  0.693  0.963  1.0
  O  O23  1  0.063  0.911  0.659  1.0
  O  O24  1  0.591  0.883  0.187  1.0
  O  O25  1  0.367  0.659  0.911  1.0
  O  O26  1  0.883  0.591  0.339  1.0
  O  O27  1  0.659  0.367  0.063  1.0
  O  O28  1  0.912  0.287  0.557  1.0
  O  O29  1  0.187  0.339  0.591  1.0
[/CIF]
.