The crystal structure described by MgFePO4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 trigonal pyramids. Fe(1) is bonded to four equivalent O(1) atoms to form distorted FeO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 trigonal pyramids. O(1) 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_MgFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.105
_cell_length_c   5.133
_cell_angle_alpha   59.829
_cell_angle_beta   90.030
_cell_angle_gamma   59.837
_symmetry_Int_Tables_number   1
_cell_volume   94.607
_cell_formula_units_Z   1
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  0.500  1.000  0.500  1.0
  Fe  Fe1  1  1.000  1.000  0.000  1.0
  P  P2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.216  0.255  0.067  1.0
  O  O4  1  0.529  0.256  0.677  1.0
  O  O5  1  0.322  0.745  0.785  1.0
  O  O6  1  0.933  0.745  0.470  1.0
[/CIF]
.
The crystal structure described by MgFePO4 crystallizes in the tetragonal I-4 space group. Mg(1) is bonded to four equivalent O(1) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 trigonal pyramids. Fe(1) is bonded to four equivalent O(1) atoms to form distorted FeO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Fe(1)O4 trigonal pyramids. O(1) 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_MgFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.105
_cell_length_c   5.133
_cell_angle_alpha   59.829
_cell_angle_beta   90.030
_cell_angle_gamma   59.837
_symmetry_Int_Tables_number   1
_cell_volume   94.607
_cell_formula_units_Z   1
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  0.500  1.000  0.500  1.0
  Fe  Fe1  1  1.000  1.000  0.000  1.0
  P  P2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.216  0.255  0.067  1.0
  O  O4  1  0.529  0.256  0.677  1.0
  O  O5  1  0.322  0.745  0.785  1.0
  O  O6  1  0.933  0.745  0.470  1.0
[/CIF]
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