The crystal structure described by Mg3Fe4(SbO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the second Mg site, Mg(2) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sb(2)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sb(3)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with three equivalent Sb(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-65°. In the second Sb site, Sb(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-57°. In the third Sb site, Sb(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 27-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(2), one Fe(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(2), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(2), one Fe(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mg(2), one Fe(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(3) atom. is represented by the CIF card [CIF]
data_Mg3Fe4(SbO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.927
_cell_length_b   8.319
_cell_length_c   10.278
_cell_angle_alpha   104.124
_cell_angle_beta   105.755
_cell_angle_gamma   102.661
_symmetry_Int_Tables_number   1
_cell_volume   526.324
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.278  0.284  0.787  1.0
  Mg  Mg2  1  0.722  0.716  0.213  1.0
  Fe  Fe3  1  0.376  0.957  0.609  1.0
  Fe  Fe4  1  0.624  0.043  0.391  1.0
  Fe  Fe5  1  0.044  0.211  0.013  1.0
  Fe  Fe6  1  0.956  0.789  0.987  1.0
  Sb  Sb7  1  0.781  0.347  0.726  1.0
  Sb  Sb8  1  0.219  0.653  0.274  1.0
  Sb  Sb9  1  0.891  0.894  0.667  1.0
  Sb  Sb10  1  0.396  0.726  0.874  1.0
  Sb  Sb11  1  0.109  0.106  0.333  1.0
  Sb  Sb12  1  0.604  0.274  0.126  1.0
  O  O13  1  0.857  0.661  0.580  1.0
  O  O14  1  0.143  0.339  0.420  1.0
  O  O15  1  0.244  0.500  0.738  1.0
  O  O16  1  0.756  0.500  0.262  1.0
  O  O17  1  0.789  0.296  0.534  1.0
  O  O18  1  0.211  0.704  0.466  1.0
  O  O19  1  0.662  0.971  0.577  1.0
  O  O20  1  0.338  0.029  0.423  1.0
  O  O21  1  0.656  0.749  0.016  1.0
  O  O22  1  0.344  0.251  0.984  1.0
  O  O23  1  0.490  0.778  0.281  1.0
  O  O24  1  0.510  0.222  0.719  1.0
  O  O25  1  0.136  0.034  0.648  1.0
  O  O26  1  0.069  0.051  0.133  1.0
  O  O27  1  0.931  0.949  0.867  1.0
  O  O28  1  0.550  0.126  0.233  1.0
  O  O29  1  0.450  0.874  0.767  1.0
  O  O30  1  0.198  0.426  0.172  1.0
  O  O31  1  0.802  0.574  0.828  1.0
  O  O32  1  0.996  0.267  0.829  1.0
  O  O33  1  0.004  0.733  0.171  1.0
  O  O34  1  0.234  0.790  0.987  1.0
  O  O35  1  0.766  0.210  0.013  1.0
  O  O36  1  0.864  0.966  0.352  1.0
[/CIF]
.
The crystal structure described by Mg3Fe4(SbO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the second Mg site, Mg(2) is bonded to one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sb(2)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Sb(3)O4 tetrahedra, corners with two equivalent Sb(1)O4 tetrahedra, corners with three equivalent Sb(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Sb(1)O4 tetrahedra, corners with two equivalent Sb(2)O4 tetrahedra, corners with two equivalent Sb(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Mg(2)O5 trigonal bipyramid. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(3), and one O(6) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-65°. In the second Sb site, Sb(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and  a cornercorner with one Mg(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-57°. In the third Sb site, Sb(3) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form SbO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 27-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Mg(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sb(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(2), one Fe(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(2), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(2), one Fe(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sb(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mg(2), one Fe(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one Sb(3) atom. is represented by the CIF card [CIF]
data_Mg3Fe4(SbO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.927
_cell_length_b   8.319
_cell_length_c   10.278
_cell_angle_alpha   104.124
_cell_angle_beta   105.755
_cell_angle_gamma   102.661
_symmetry_Int_Tables_number   1
_cell_volume   526.324
_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  0.000  0.500  0.500  1.0
  Mg  Mg1  1  0.278  0.284  0.787  1.0
  Mg  Mg2  1  0.722  0.716  0.213  1.0
  Fe  Fe3  1  0.376  0.957  0.609  1.0
  Fe  Fe4  1  0.624  0.043  0.391  1.0
  Fe  Fe5  1  0.044  0.211  0.013  1.0
  Fe  Fe6  1  0.956  0.789  0.987  1.0
  Sb  Sb7  1  0.781  0.347  0.726  1.0
  Sb  Sb8  1  0.219  0.653  0.274  1.0
  Sb  Sb9  1  0.891  0.894  0.667  1.0
  Sb  Sb10  1  0.396  0.726  0.874  1.0
  Sb  Sb11  1  0.109  0.106  0.333  1.0
  Sb  Sb12  1  0.604  0.274  0.126  1.0
  O  O13  1  0.857  0.661  0.580  1.0
  O  O14  1  0.143  0.339  0.420  1.0
  O  O15  1  0.244  0.500  0.738  1.0
  O  O16  1  0.756  0.500  0.262  1.0
  O  O17  1  0.789  0.296  0.534  1.0
  O  O18  1  0.211  0.704  0.466  1.0
  O  O19  1  0.662  0.971  0.577  1.0
  O  O20  1  0.338  0.029  0.423  1.0
  O  O21  1  0.656  0.749  0.016  1.0
  O  O22  1  0.344  0.251  0.984  1.0
  O  O23  1  0.490  0.778  0.281  1.0
  O  O24  1  0.510  0.222  0.719  1.0
  O  O25  1  0.136  0.034  0.648  1.0
  O  O26  1  0.069  0.051  0.133  1.0
  O  O27  1  0.931  0.949  0.867  1.0
  O  O28  1  0.550  0.126  0.233  1.0
  O  O29  1  0.450  0.874  0.767  1.0
  O  O30  1  0.198  0.426  0.172  1.0
  O  O31  1  0.802  0.574  0.828  1.0
  O  O32  1  0.996  0.267  0.829  1.0
  O  O33  1  0.004  0.733  0.171  1.0
  O  O34  1  0.234  0.790  0.987  1.0
  O  O35  1  0.766  0.210  0.013  1.0
  O  O36  1  0.864  0.966  0.352  1.0
[/CIF]
.