The compound described by MgSb3O7F crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MgO5 square pyramids that share corners with two equivalent Sb(2)O5F pentagonal pyramids, corners with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Sb(1)O6 octahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O5F pentagonal pyramid,  an edgeedge with one Sb(2)O5F pentagonal pyramid, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 20°. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(7), two equivalent O(4), and one F(1) atom to form distorted SbO5F pentagonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Sb(2)O5F pentagonal pyramids, corners with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(5), and one F(1) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a water-like geometry to 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) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Sb(2) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(3) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. F(1) is bonded in a linear geometry to one Sb(2) and one Sb(3) atom. is represented by the CIF card [CIF]
data_MgSb3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.601
_cell_length_c   4.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.442
_symmetry_Int_Tables_number   1
_cell_volume   166.111
_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  0.646  0.053  0.500  1.0
  Sb  Sb1  1  0.019  0.979  0.000  1.0
  Sb  Sb2  1  0.257  0.323  0.000  1.0
  Sb  Sb3  1  0.719  0.651  0.000  1.0
  O  O4  1  0.050  0.659  0.000  1.0
  O  O5  1  0.305  0.977  0.000  1.0
  O  O6  1  0.962  0.009  0.500  1.0
  O  O7  1  0.342  0.289  0.500  1.0
  O  O8  1  0.684  0.722  0.500  1.0
  O  O9  1  0.705  0.033  0.000  1.0
  O  O10  1  0.953  0.326  0.000  1.0
  F  F11  1  0.513  0.497  0.000  1.0
[/CIF]
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The compound described by MgSb3O7F crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MgO5 square pyramids that share corners with two equivalent Sb(2)O5F pentagonal pyramids, corners with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Sb(1)O6 octahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O5F pentagonal pyramid,  an edgeedge with one Sb(2)O5F pentagonal pyramid, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 20°. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(7), two equivalent O(4), and one F(1) atom to form distorted SbO5F pentagonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Sb(2)O5F pentagonal pyramids, corners with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(5), and one F(1) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a water-like geometry to 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) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Sb(2) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(3) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Sb(1), and one Sb(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. F(1) is bonded in a linear geometry to one Sb(2) and one Sb(3) atom. is represented by the CIF card [CIF]
data_MgSb3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   6.601
_cell_length_c   4.008
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.442
_symmetry_Int_Tables_number   1
_cell_volume   166.111
_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  0.646  0.053  0.500  1.0
  Sb  Sb1  1  0.019  0.979  0.000  1.0
  Sb  Sb2  1  0.257  0.323  0.000  1.0
  Sb  Sb3  1  0.719  0.651  0.000  1.0
  O  O4  1  0.050  0.659  0.000  1.0
  O  O5  1  0.305  0.977  0.000  1.0
  O  O6  1  0.962  0.009  0.500  1.0
  O  O7  1  0.342  0.289  0.500  1.0
  O  O8  1  0.684  0.722  0.500  1.0
  O  O9  1  0.705  0.033  0.000  1.0
  O  O10  1  0.953  0.326  0.000  1.0
  F  F11  1  0.513  0.497  0.000  1.0
[/CIF]
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