The material described by SrSO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), and six equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   4.811
_cell_length_c   14.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.245
_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
  Sr  Sr0  1  0.250  0.280  0.603  1.0
  Sr  Sr1  1  0.250  0.220  0.103  1.0
  Sr  Sr2  1  0.750  0.720  0.397  1.0
  Sr  Sr3  1  0.750  0.780  0.897  1.0
  S  S4  1  0.250  0.317  0.870  1.0
  S  S5  1  0.250  0.183  0.370  1.0
  S  S6  1  0.750  0.683  0.130  1.0
  S  S7  1  0.750  0.817  0.630  1.0
  O  O8  1  0.750  0.375  0.141  1.0
  O  O9  1  0.750  0.125  0.641  1.0
  O  O10  1  0.250  0.625  0.859  1.0
  O  O11  1  0.250  0.875  0.359  1.0
  O  O12  1  0.750  0.674  0.723  1.0
  O  O13  1  0.750  0.826  0.223  1.0
  O  O14  1  0.250  0.326  0.277  1.0
  O  O15  1  0.250  0.174  0.777  1.0
  O  O16  1  0.017  0.237  0.927  1.0
  O  O17  1  0.483  0.263  0.427  1.0
  O  O18  1  0.517  0.763  0.073  1.0
  O  O19  1  0.983  0.737  0.573  1.0
  O  O20  1  0.983  0.763  0.073  1.0
  O  O21  1  0.517  0.737  0.573  1.0
  O  O22  1  0.483  0.237  0.927  1.0
  O  O23  1  0.017  0.263  0.427  1.0
[/CIF]
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The material described by SrSO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), and six equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   4.811
_cell_length_c   14.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.245
_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
  Sr  Sr0  1  0.250  0.280  0.603  1.0
  Sr  Sr1  1  0.250  0.220  0.103  1.0
  Sr  Sr2  1  0.750  0.720  0.397  1.0
  Sr  Sr3  1  0.750  0.780  0.897  1.0
  S  S4  1  0.250  0.317  0.870  1.0
  S  S5  1  0.250  0.183  0.370  1.0
  S  S6  1  0.750  0.683  0.130  1.0
  S  S7  1  0.750  0.817  0.630  1.0
  O  O8  1  0.750  0.375  0.141  1.0
  O  O9  1  0.750  0.125  0.641  1.0
  O  O10  1  0.250  0.625  0.859  1.0
  O  O11  1  0.250  0.875  0.359  1.0
  O  O12  1  0.750  0.674  0.723  1.0
  O  O13  1  0.750  0.826  0.223  1.0
  O  O14  1  0.250  0.326  0.277  1.0
  O  O15  1  0.250  0.174  0.777  1.0
  O  O16  1  0.017  0.237  0.927  1.0
  O  O17  1  0.483  0.263  0.427  1.0
  O  O18  1  0.517  0.763  0.073  1.0
  O  O19  1  0.983  0.737  0.573  1.0
  O  O20  1  0.983  0.763  0.073  1.0
  O  O21  1  0.517  0.737  0.573  1.0
  O  O22  1  0.483  0.237  0.927  1.0
  O  O23  1  0.017  0.263  0.427  1.0
[/CIF]
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