The material structure described by NaSbOBrF3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. Sb(1) is bonded in a 3-coordinate geometry to two equivalent Br(1), one F(1), one F(2), and one F(3) atom. O(1) is bonded in a 2-coordinate geometry to one Na(1) and one Br(1) atom. Br(1) is bonded in a 3-coordinate geometry to two equivalent Sb(1) and one O(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Na(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbBrOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.825
_cell_length_b   7.830
_cell_length_c   12.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.654
_symmetry_Int_Tables_number   1
_cell_volume   545.367
_cell_formula_units_Z   4
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
  Na  Na0  1  0.804  0.002  0.371  1.0
  Na  Na1  1  0.696  0.998  0.871  1.0
  Na  Na2  1  0.196  0.998  0.629  1.0
  Na  Na3  1  0.304  0.002  0.129  1.0
  Sb  Sb4  1  0.685  0.318  0.596  1.0
  Sb  Sb5  1  0.815  0.682  0.096  1.0
  Sb  Sb6  1  0.315  0.682  0.404  1.0
  Sb  Sb7  1  0.185  0.318  0.904  1.0
  Br  Br8  1  0.746  0.478  0.363  1.0
  Br  Br9  1  0.754  0.522  0.863  1.0
  Br  Br10  1  0.254  0.522  0.637  1.0
  Br  Br11  1  0.246  0.478  0.137  1.0
  O  O12  1  0.180  0.225  0.251  1.0
  O  O13  1  0.320  0.775  0.751  1.0
  O  O14  1  0.820  0.775  0.749  1.0
  O  O15  1  0.680  0.225  0.249  1.0
  F  F16  1  0.941  0.847  0.214  1.0
  F  F17  1  0.559  0.153  0.714  1.0
  F  F18  1  0.059  0.153  0.786  1.0
  F  F19  1  0.441  0.847  0.286  1.0
  F  F20  1  0.446  0.190  0.506  1.0
  F  F21  1  0.054  0.810  0.006  1.0
  F  F22  1  0.554  0.810  0.494  1.0
  F  F23  1  0.946  0.190  0.994  1.0
  F  F24  1  0.107  0.854  0.456  1.0
  F  F25  1  0.393  0.146  0.956  1.0
  F  F26  1  0.893  0.146  0.544  1.0
  F  F27  1  0.607  0.854  0.044  1.0
[/CIF]
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The material structure described by NaSbOBrF3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms. Sb(1) is bonded in a 3-coordinate geometry to two equivalent Br(1), one F(1), one F(2), and one F(3) atom. O(1) is bonded in a 2-coordinate geometry to one Na(1) and one Br(1) atom. Br(1) is bonded in a 3-coordinate geometry to two equivalent Sb(1) and one O(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one Sb(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Na(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbBrOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.825
_cell_length_b   7.830
_cell_length_c   12.016
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.654
_symmetry_Int_Tables_number   1
_cell_volume   545.367
_cell_formula_units_Z   4
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
  Na  Na0  1  0.804  0.002  0.371  1.0
  Na  Na1  1  0.696  0.998  0.871  1.0
  Na  Na2  1  0.196  0.998  0.629  1.0
  Na  Na3  1  0.304  0.002  0.129  1.0
  Sb  Sb4  1  0.685  0.318  0.596  1.0
  Sb  Sb5  1  0.815  0.682  0.096  1.0
  Sb  Sb6  1  0.315  0.682  0.404  1.0
  Sb  Sb7  1  0.185  0.318  0.904  1.0
  Br  Br8  1  0.746  0.478  0.363  1.0
  Br  Br9  1  0.754  0.522  0.863  1.0
  Br  Br10  1  0.254  0.522  0.637  1.0
  Br  Br11  1  0.246  0.478  0.137  1.0
  O  O12  1  0.180  0.225  0.251  1.0
  O  O13  1  0.320  0.775  0.751  1.0
  O  O14  1  0.820  0.775  0.749  1.0
  O  O15  1  0.680  0.225  0.249  1.0
  F  F16  1  0.941  0.847  0.214  1.0
  F  F17  1  0.559  0.153  0.714  1.0
  F  F18  1  0.059  0.153  0.786  1.0
  F  F19  1  0.441  0.847  0.286  1.0
  F  F20  1  0.446  0.190  0.506  1.0
  F  F21  1  0.054  0.810  0.006  1.0
  F  F22  1  0.554  0.810  0.494  1.0
  F  F23  1  0.946  0.190  0.994  1.0
  F  F24  1  0.107  0.854  0.456  1.0
  F  F25  1  0.393  0.146  0.956  1.0
  F  F26  1  0.893  0.146  0.544  1.0
  F  F27  1  0.607  0.854  0.044  1.0
[/CIF]
.