The structure described by MgSb3O7F crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent F(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and one F(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(2) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Sb(1) and one Sb(2) atom. F(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_MgSb3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   3.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   65.437
_symmetry_Int_Tables_number   1
_cell_volume   160.183
_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  0.656  0.344  0.500  1.0
  Sb  Sb1  1  0.019  0.981  0.000  1.0
  Sb  Sb2  1  0.258  0.318  0.000  1.0
  Sb  Sb3  1  0.682  0.742  0.000  1.0
  O  O4  1  0.044  0.670  0.000  1.0
  O  O5  1  0.330  0.956  0.000  1.0
  O  O6  1  0.956  0.044  0.500  1.0
  O  O7  1  0.346  0.318  0.500  1.0
  O  O8  1  0.682  0.654  0.500  1.0
  O  O9  1  0.692  0.041  0.000  1.0
  O  O10  1  0.959  0.308  0.000  1.0
  F  F11  1  0.534  0.466  0.000  1.0
[/CIF]
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The structure described by MgSb3O7F crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent F(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and one F(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(2) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Sb(1) and one Sb(2) atom. F(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_MgSb3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   3.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   65.437
_symmetry_Int_Tables_number   1
_cell_volume   160.183
_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  0.656  0.344  0.500  1.0
  Sb  Sb1  1  0.019  0.981  0.000  1.0
  Sb  Sb2  1  0.258  0.318  0.000  1.0
  Sb  Sb3  1  0.682  0.742  0.000  1.0
  O  O4  1  0.044  0.670  0.000  1.0
  O  O5  1  0.330  0.956  0.000  1.0
  O  O6  1  0.956  0.044  0.500  1.0
  O  O7  1  0.346  0.318  0.500  1.0
  O  O8  1  0.682  0.654  0.500  1.0
  O  O9  1  0.692  0.041  0.000  1.0
  O  O10  1  0.959  0.308  0.000  1.0
  F  F11  1  0.534  0.466  0.000  1.0
[/CIF]
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