The material described by Sn2PO4Cl crystallizes in the orthorhombic Ama2 space group. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent Cl(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2PClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.056
_cell_length_c   13.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.384
_symmetry_Int_Tables_number   1
_cell_volume   283.722
_cell_formula_units_Z   2
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  0.839  0.232  0.890  1.0
  Sn  Sn1  1  0.232  0.839  0.390  1.0
  Sn  Sn2  1  0.232  0.839  0.110  1.0
  Sn  Sn3  1  0.839  0.232  0.610  1.0
  P  P4  1  0.187  0.920  0.750  1.0
  P  P5  1  0.920  0.187  0.250  1.0
  Cl  Cl6  1  0.449  0.449  0.000  1.0
  Cl  Cl7  1  0.449  0.449  0.500  1.0
  O  O8  1  0.109  0.723  0.846  1.0
  O  O9  1  0.180  0.548  0.250  1.0
  O  O10  1  0.016  0.097  0.750  1.0
  O  O11  1  0.723  0.109  0.154  1.0
  O  O12  1  0.109  0.723  0.654  1.0
  O  O13  1  0.723  0.109  0.346  1.0
  O  O14  1  0.548  0.180  0.750  1.0
  O  O15  1  0.097  0.016  0.250  1.0
[/CIF]
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The material described by Sn2PO4Cl crystallizes in the orthorhombic Ama2 space group. Sn(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent Cl(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Sn(1) and one P(1) atom. Cl(1) is bonded in a 4-coordinate geometry to four equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn2PClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   5.056
_cell_length_c   13.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.384
_symmetry_Int_Tables_number   1
_cell_volume   283.722
_cell_formula_units_Z   2
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  0.839  0.232  0.890  1.0
  Sn  Sn1  1  0.232  0.839  0.390  1.0
  Sn  Sn2  1  0.232  0.839  0.110  1.0
  Sn  Sn3  1  0.839  0.232  0.610  1.0
  P  P4  1  0.187  0.920  0.750  1.0
  P  P5  1  0.920  0.187  0.250  1.0
  Cl  Cl6  1  0.449  0.449  0.000  1.0
  Cl  Cl7  1  0.449  0.449  0.500  1.0
  O  O8  1  0.109  0.723  0.846  1.0
  O  O9  1  0.180  0.548  0.250  1.0
  O  O10  1  0.016  0.097  0.750  1.0
  O  O11  1  0.723  0.109  0.154  1.0
  O  O12  1  0.109  0.723  0.654  1.0
  O  O13  1  0.723  0.109  0.346  1.0
  O  O14  1  0.548  0.180  0.750  1.0
  O  O15  1  0.097  0.016  0.250  1.0
[/CIF]
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