The compound described by SrSO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), and six equivalent O(1) atoms. S(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 single-bond geometry to three equivalent Sr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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   5.343
_cell_length_b   6.871
_cell_length_c   8.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.725
_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  0.343  0.684  1.0
  Sr  Sr1  1  0.750  0.657  0.316  1.0
  Sr  Sr2  1  0.750  0.843  0.816  1.0
  Sr  Sr3  1  0.250  0.157  0.184  1.0
  S  S4  1  0.750  0.316  0.938  1.0
  S  S5  1  0.250  0.684  0.062  1.0
  S  S6  1  0.250  0.816  0.562  1.0
  S  S7  1  0.750  0.184  0.438  1.0
  O  O8  1  0.475  0.810  0.078  1.0
  O  O9  1  0.975  0.190  0.922  1.0
  O  O10  1  0.525  0.310  0.422  1.0
  O  O11  1  0.025  0.690  0.578  1.0
  O  O12  1  0.525  0.190  0.922  1.0
  O  O13  1  0.025  0.810  0.078  1.0
  O  O14  1  0.475  0.690  0.578  1.0
  O  O15  1  0.975  0.310  0.422  1.0
  O  O16  1  0.750  0.092  0.595  1.0
  O  O17  1  0.250  0.908  0.405  1.0
  O  O18  1  0.250  0.592  0.905  1.0
  O  O19  1  0.750  0.408  0.095  1.0
  O  O20  1  0.750  0.041  0.306  1.0
  O  O21  1  0.250  0.959  0.694  1.0
  O  O22  1  0.250  0.541  0.194  1.0
  O  O23  1  0.750  0.459  0.806  1.0
[/CIF]
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The compound described by SrSO4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 10-coordinate geometry to one O(2), three equivalent O(3), and six equivalent O(1) atoms. S(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 single-bond geometry to three equivalent Sr(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond 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   5.343
_cell_length_b   6.871
_cell_length_c   8.356
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   306.725
_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  0.343  0.684  1.0
  Sr  Sr1  1  0.750  0.657  0.316  1.0
  Sr  Sr2  1  0.750  0.843  0.816  1.0
  Sr  Sr3  1  0.250  0.157  0.184  1.0
  S  S4  1  0.750  0.316  0.938  1.0
  S  S5  1  0.250  0.684  0.062  1.0
  S  S6  1  0.250  0.816  0.562  1.0
  S  S7  1  0.750  0.184  0.438  1.0
  O  O8  1  0.475  0.810  0.078  1.0
  O  O9  1  0.975  0.190  0.922  1.0
  O  O10  1  0.525  0.310  0.422  1.0
  O  O11  1  0.025  0.690  0.578  1.0
  O  O12  1  0.525  0.190  0.922  1.0
  O  O13  1  0.025  0.810  0.078  1.0
  O  O14  1  0.475  0.690  0.578  1.0
  O  O15  1  0.975  0.310  0.422  1.0
  O  O16  1  0.750  0.092  0.595  1.0
  O  O17  1  0.250  0.908  0.405  1.0
  O  O18  1  0.250  0.592  0.905  1.0
  O  O19  1  0.750  0.408  0.095  1.0
  O  O20  1  0.750  0.041  0.306  1.0
  O  O21  1  0.250  0.959  0.694  1.0
  O  O22  1  0.250  0.541  0.194  1.0
  O  O23  1  0.750  0.459  0.806  1.0
[/CIF]
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