The compound described by MgSb2(O2F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share edges with three equivalent Sb(1)O4F2 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form SbO4F2 octahedra that share edges with three equivalent Mg(1)O4F2 octahedra. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgSb2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   6.143
_cell_length_c   5.279
_cell_angle_alpha   119.638
_cell_angle_beta   59.946
_cell_angle_gamma   116.147
_symmetry_Int_Tables_number   1
_cell_volume   132.834
_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  0.042  0.101  0.014  1.0
  Sb  Sb1  1  0.696  0.159  0.764  1.0
  Sb  Sb2  1  0.305  0.699  0.201  1.0
  O  O3  1  0.038  0.335  0.849  1.0
  O  O4  1  0.427  0.382  0.090  1.0
  O  O5  1  0.361  0.924  0.639  1.0
  O  O6  1  0.655  0.909  0.947  1.0
  F  F7  1  0.821  0.346  0.473  1.0
  F  F8  1  0.922  0.932  0.317  1.0
[/CIF]
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The compound described by MgSb2(O2F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share edges with three equivalent Sb(1)O4F2 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form SbO4F2 octahedra that share edges with three equivalent Mg(1)O4F2 octahedra. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Sb(1), and one Sb(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mg(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgSb2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   6.143
_cell_length_c   5.279
_cell_angle_alpha   119.638
_cell_angle_beta   59.946
_cell_angle_gamma   116.147
_symmetry_Int_Tables_number   1
_cell_volume   132.834
_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  0.042  0.101  0.014  1.0
  Sb  Sb1  1  0.696  0.159  0.764  1.0
  Sb  Sb2  1  0.305  0.699  0.201  1.0
  O  O3  1  0.038  0.335  0.849  1.0
  O  O4  1  0.427  0.382  0.090  1.0
  O  O5  1  0.361  0.924  0.639  1.0
  O  O6  1  0.655  0.909  0.947  1.0
  F  F7  1  0.821  0.346  0.473  1.0
  F  F8  1  0.922  0.932  0.317  1.0
[/CIF]
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