The crystal structure described by MgFe4(PO4)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(2), one O(5), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(14), one O(15), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form FeO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent Fe(4)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(11), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(10), one O(12), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) 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(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. is represented by the CIF card [CIF]
data_MgFe4(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.467
_cell_length_b   6.781
_cell_length_c   5.250
_cell_angle_alpha   88.587
_cell_angle_beta   94.212
_cell_angle_gamma   94.535
_symmetry_Int_Tables_number   1
_cell_volume   370.346
_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  0.152  0.466  0.180  1.0
  Fe  Fe1  1  0.855  0.177  0.361  1.0
  Fe  Fe2  1  0.658  0.693  0.808  1.0
  Fe  Fe3  1  0.362  0.198  0.174  1.0
  Fe  Fe4  1  0.160  0.782  0.671  1.0
  P  P5  1  0.079  0.958  0.158  1.0
  P  P6  1  0.378  0.491  0.663  1.0
  P  P7  1  0.605  0.954  0.303  1.0
  P  P8  1  0.922  0.446  0.864  1.0
  O  O9  1  0.528  0.508  0.676  1.0
  O  O10  1  0.940  0.385  0.157  1.0
  O  O11  1  0.874  0.267  0.700  1.0
  O  O12  1  0.827  0.607  0.828  1.0
  O  O13  1  0.062  0.519  0.813  1.0
  O  O14  1  0.062  0.948  0.868  1.0
  O  O15  1  0.140  0.767  0.275  1.0
  O  O16  1  0.165  0.148  0.239  1.0
  O  O17  1  0.330  0.684  0.755  1.0
  O  O18  1  0.685  0.144  0.209  1.0
  O  O19  1  0.326  0.452  0.381  1.0
  O  O20  1  0.464  0.992  0.314  1.0
  O  O21  1  0.948  0.964  0.281  1.0
  O  O22  1  0.669  0.909  0.574  1.0
  O  O23  1  0.621  0.777  0.131  1.0
  O  O24  1  0.333  0.313  0.832  1.0
[/CIF]
.
The crystal structure described by MgFe4(PO4)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(2), one O(5), one O(7), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(14), one O(15), and one O(4) atom to form FeO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(8) atom. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form FeO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent Fe(4)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(11), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(10), one O(12), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra and corners with two equivalent Fe(2)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) 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(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. is represented by the CIF card [CIF]
data_MgFe4(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.467
_cell_length_b   6.781
_cell_length_c   5.250
_cell_angle_alpha   88.587
_cell_angle_beta   94.212
_cell_angle_gamma   94.535
_symmetry_Int_Tables_number   1
_cell_volume   370.346
_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  0.152  0.466  0.180  1.0
  Fe  Fe1  1  0.855  0.177  0.361  1.0
  Fe  Fe2  1  0.658  0.693  0.808  1.0
  Fe  Fe3  1  0.362  0.198  0.174  1.0
  Fe  Fe4  1  0.160  0.782  0.671  1.0
  P  P5  1  0.079  0.958  0.158  1.0
  P  P6  1  0.378  0.491  0.663  1.0
  P  P7  1  0.605  0.954  0.303  1.0
  P  P8  1  0.922  0.446  0.864  1.0
  O  O9  1  0.528  0.508  0.676  1.0
  O  O10  1  0.940  0.385  0.157  1.0
  O  O11  1  0.874  0.267  0.700  1.0
  O  O12  1  0.827  0.607  0.828  1.0
  O  O13  1  0.062  0.519  0.813  1.0
  O  O14  1  0.062  0.948  0.868  1.0
  O  O15  1  0.140  0.767  0.275  1.0
  O  O16  1  0.165  0.148  0.239  1.0
  O  O17  1  0.330  0.684  0.755  1.0
  O  O18  1  0.685  0.144  0.209  1.0
  O  O19  1  0.326  0.452  0.381  1.0
  O  O20  1  0.464  0.992  0.314  1.0
  O  O21  1  0.948  0.964  0.281  1.0
  O  O22  1  0.669  0.909  0.574  1.0
  O  O23  1  0.621  0.777  0.131  1.0
  O  O24  1  0.333  0.313  0.832  1.0
[/CIF]
.