The material described by MgFe2(SbO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Sb(2)O5 trigonal bipyramids and edges with two equivalent Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with three equivalent Sb(2)O5 trigonal bipyramids and edges with two equivalent Fe(1)O6 octahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted SbO5 trigonal bipyramids that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.068
_cell_length_c   6.379
_cell_angle_alpha   85.572
_cell_angle_beta   116.808
_cell_angle_gamma   60.150
_symmetry_Int_Tables_number   1
_cell_volume   176.175
_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  0.259  0.935  0.791  1.0
  Fe  Fe1  1  0.741  0.752  0.502  1.0
  Fe  Fe2  1  0.507  0.400  0.093  1.0
  Sb  Sb3  1  0.261  0.270  0.471  1.0
  Sb  Sb4  1  1.000  0.939  0.062  1.0
  O  O5  1  0.044  0.780  0.805  1.0
  O  O6  1  0.569  0.241  0.819  1.0
  O  O7  1  0.483  0.868  0.647  1.0
  O  O8  1  0.037  0.338  0.625  1.0
  O  O9  1  0.483  0.198  0.322  1.0
  O  O10  1  0.012  0.696  0.298  1.0
  O  O11  1  0.412  0.784  0.169  1.0
  O  O12  1  0.942  0.239  0.193  1.0
[/CIF]
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The material described by MgFe2(SbO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Sb(2)O5 trigonal bipyramids and edges with two equivalent Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form SbO6 octahedra that share corners with three equivalent Sb(2)O5 trigonal bipyramids and edges with two equivalent Fe(1)O6 octahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted SbO5 trigonal bipyramids that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Fe(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(1), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Sb(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe2(SbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.385
_cell_length_b   6.068
_cell_length_c   6.379
_cell_angle_alpha   85.572
_cell_angle_beta   116.808
_cell_angle_gamma   60.150
_symmetry_Int_Tables_number   1
_cell_volume   176.175
_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  0.259  0.935  0.791  1.0
  Fe  Fe1  1  0.741  0.752  0.502  1.0
  Fe  Fe2  1  0.507  0.400  0.093  1.0
  Sb  Sb3  1  0.261  0.270  0.471  1.0
  Sb  Sb4  1  1.000  0.939  0.062  1.0
  O  O5  1  0.044  0.780  0.805  1.0
  O  O6  1  0.569  0.241  0.819  1.0
  O  O7  1  0.483  0.868  0.647  1.0
  O  O8  1  0.037  0.338  0.625  1.0
  O  O9  1  0.483  0.198  0.322  1.0
  O  O10  1  0.012  0.696  0.298  1.0
  O  O11  1  0.412  0.784  0.169  1.0
  O  O12  1  0.942  0.239  0.193  1.0
[/CIF]
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