The structure described by SnPO4F crystallizes in the orthorhombic Pnma space group. Sn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form SnO4F2 octahedra that share corners with two equivalent Sn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.400
_cell_length_b   7.290
_cell_length_c   7.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.883
_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
  Sn  Sn0  1  0.750  0.246  0.872  1.0
  Sn  Sn1  1  0.750  0.254  0.372  1.0
  Sn  Sn2  1  0.250  0.754  0.128  1.0
  Sn  Sn3  1  0.250  0.746  0.628  1.0
  P  P4  1  0.750  0.874  0.128  1.0
  P  P5  1  0.750  0.626  0.628  1.0
  P  P6  1  0.250  0.126  0.872  1.0
  P  P7  1  0.250  0.374  0.372  1.0
  O  O8  1  0.750  0.987  0.961  1.0
  O  O9  1  0.750  0.513  0.461  1.0
  O  O10  1  0.250  0.013  0.039  1.0
  O  O11  1  0.250  0.487  0.539  1.0
  O  O12  1  0.939  0.746  0.131  1.0
  O  O13  1  0.561  0.754  0.631  1.0
  O  O14  1  0.439  0.254  0.869  1.0
  O  O15  1  0.061  0.246  0.369  1.0
  O  O16  1  0.061  0.254  0.869  1.0
  O  O17  1  0.439  0.246  0.369  1.0
  O  O18  1  0.561  0.746  0.131  1.0
  O  O19  1  0.939  0.754  0.631  1.0
  O  O20  1  0.750  0.995  0.288  1.0
  O  O21  1  0.750  0.505  0.788  1.0
  O  O22  1  0.250  0.005  0.712  1.0
  O  O23  1  0.250  0.495  0.212  1.0
  F  F24  1  0.750  0.347  0.120  1.0
  F  F25  1  0.750  0.153  0.620  1.0
  F  F26  1  0.250  0.653  0.880  1.0
  F  F27  1  0.250  0.847  0.380  1.0
[/CIF]
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The structure described by SnPO4F crystallizes in the orthorhombic Pnma space group. Sn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form SnO4F2 octahedra that share corners with two equivalent Sn(1)O4F2 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Sn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. F(1) is bonded in a bent 150 degrees geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.400
_cell_length_b   7.290
_cell_length_c   7.735
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.883
_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
  Sn  Sn0  1  0.750  0.246  0.872  1.0
  Sn  Sn1  1  0.750  0.254  0.372  1.0
  Sn  Sn2  1  0.250  0.754  0.128  1.0
  Sn  Sn3  1  0.250  0.746  0.628  1.0
  P  P4  1  0.750  0.874  0.128  1.0
  P  P5  1  0.750  0.626  0.628  1.0
  P  P6  1  0.250  0.126  0.872  1.0
  P  P7  1  0.250  0.374  0.372  1.0
  O  O8  1  0.750  0.987  0.961  1.0
  O  O9  1  0.750  0.513  0.461  1.0
  O  O10  1  0.250  0.013  0.039  1.0
  O  O11  1  0.250  0.487  0.539  1.0
  O  O12  1  0.939  0.746  0.131  1.0
  O  O13  1  0.561  0.754  0.631  1.0
  O  O14  1  0.439  0.254  0.869  1.0
  O  O15  1  0.061  0.246  0.369  1.0
  O  O16  1  0.061  0.254  0.869  1.0
  O  O17  1  0.439  0.246  0.369  1.0
  O  O18  1  0.561  0.746  0.131  1.0
  O  O19  1  0.939  0.754  0.631  1.0
  O  O20  1  0.750  0.995  0.288  1.0
  O  O21  1  0.750  0.505  0.788  1.0
  O  O22  1  0.250  0.005  0.712  1.0
  O  O23  1  0.250  0.495  0.212  1.0
  F  F24  1  0.750  0.347  0.120  1.0
  F  F25  1  0.750  0.153  0.620  1.0
  F  F26  1  0.250  0.653  0.880  1.0
  F  F27  1  0.250  0.847  0.380  1.0
[/CIF]
.