The crystal structure described by SrPS3 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. P(1) is bonded to one P(1), one S(1), one S(2), and one S(3) atom to form distorted PPS3 tetrahedra that share  a cornercorner with one S(1)Sr3P tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and one P(1) atom to form distorted SSr3P tetrahedra that share  a cornercorner with one P(1)PS3 tetrahedra, corners with four equivalent S(1)Sr3P tetrahedra, and  an edgeedge with one S(1)Sr3P tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(1) and one P(1) atom. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to three equivalent Sr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   7.625
_cell_length_c   9.452
_cell_angle_alpha   90.000
_cell_angle_beta   91.675
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.903
_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  0.039  0.613  0.750  1.0
  Sr  Sr1  1  0.461  0.113  0.750  1.0
  Sr  Sr2  1  0.961  0.387  0.250  1.0
  Sr  Sr3  1  0.539  0.887  0.250  1.0
  P  P4  1  0.562  0.607  0.934  1.0
  P  P5  1  0.938  0.107  0.566  1.0
  P  P6  1  0.438  0.393  0.066  1.0
  P  P7  1  0.062  0.893  0.434  1.0
  S  S8  1  0.852  0.703  0.441  1.0
  S  S9  1  0.648  0.203  0.059  1.0
  S  S10  1  0.148  0.297  0.559  1.0
  S  S11  1  0.352  0.797  0.941  1.0
  S  S12  1  0.101  0.996  0.241  1.0
  S  S13  1  0.399  0.496  0.259  1.0
  S  S14  1  0.899  0.004  0.759  1.0
  S  S15  1  0.601  0.504  0.741  1.0
  S  S16  1  0.314  0.812  0.536  1.0
  S  S17  1  0.186  0.312  0.964  1.0
  S  S18  1  0.686  0.188  0.464  1.0
  S  S19  1  0.814  0.688  0.036  1.0
[/CIF]
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The crystal structure described by SrPS3 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. P(1) is bonded to one P(1), one S(1), one S(2), and one S(3) atom to form distorted PPS3 tetrahedra that share  a cornercorner with one S(1)Sr3P tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and one P(1) atom to form distorted SSr3P tetrahedra that share  a cornercorner with one P(1)PS3 tetrahedra, corners with four equivalent S(1)Sr3P tetrahedra, and  an edgeedge with one S(1)Sr3P tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr(1) and one P(1) atom. In the third S site, S(3) is bonded in a distorted see-saw-like geometry to three equivalent Sr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   7.625
_cell_length_c   9.452
_cell_angle_alpha   90.000
_cell_angle_beta   91.675
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.903
_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  0.039  0.613  0.750  1.0
  Sr  Sr1  1  0.461  0.113  0.750  1.0
  Sr  Sr2  1  0.961  0.387  0.250  1.0
  Sr  Sr3  1  0.539  0.887  0.250  1.0
  P  P4  1  0.562  0.607  0.934  1.0
  P  P5  1  0.938  0.107  0.566  1.0
  P  P6  1  0.438  0.393  0.066  1.0
  P  P7  1  0.062  0.893  0.434  1.0
  S  S8  1  0.852  0.703  0.441  1.0
  S  S9  1  0.648  0.203  0.059  1.0
  S  S10  1  0.148  0.297  0.559  1.0
  S  S11  1  0.352  0.797  0.941  1.0
  S  S12  1  0.101  0.996  0.241  1.0
  S  S13  1  0.399  0.496  0.259  1.0
  S  S14  1  0.899  0.004  0.759  1.0
  S  S15  1  0.601  0.504  0.741  1.0
  S  S16  1  0.314  0.812  0.536  1.0
  S  S17  1  0.186  0.312  0.964  1.0
  S  S18  1  0.686  0.188  0.464  1.0
  S  S19  1  0.814  0.688  0.036  1.0
[/CIF]
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