The material structure described by Sr(Mo3S4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent Mo(1), two equivalent S(2), two equivalent S(3), two equivalent S(4), and four equivalent S(1) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Sr(1), one S(1), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a distorted water-like geometry to one S(1) and one S(2) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(2), and one Mo(3) atom. In the third S site, S(3) is bonded in a 2-coordinate geometry to one Sr(1), one Mo(3), and one S(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Mo(1), and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Sr(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.556
_cell_length_b   6.079
_cell_length_c   12.060
_cell_angle_alpha   44.063
_cell_angle_beta   137.833
_cell_angle_gamma   133.785
_symmetry_Int_Tables_number   1
_cell_volume   339.578
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.280  0.890  0.001  1.0
  Mo  Mo2  1  0.382  0.551  0.344  1.0
  Mo  Mo3  1  0.372  0.531  0.828  1.0
  Mo  Mo4  1  0.720  0.110  0.999  1.0
  Mo  Mo5  1  0.618  0.449  0.656  1.0
  Mo  Mo6  1  0.628  0.469  0.172  1.0
  S  S7  1  0.058  0.253  0.217  1.0
  S  S8  1  0.423  0.001  0.324  1.0
  S  S9  1  0.956  0.445  0.411  1.0
  S  S10  1  0.942  0.747  0.783  1.0
  S  S11  1  0.577  0.999  0.676  1.0
  S  S12  1  0.044  0.555  0.589  1.0
  S  S13  1  0.375  0.737  0.935  1.0
  S  S14  1  0.625  0.263  0.065  1.0
[/CIF]
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The material structure described by Sr(Mo3S4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent Mo(1), two equivalent S(2), two equivalent S(3), two equivalent S(4), and four equivalent S(1) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Sr(1), one S(1), and two equivalent S(4) atoms. In the second Mo site, Mo(2) is bonded in a distorted water-like geometry to one S(1) and one S(2) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Mo(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Sr(1), one Mo(2), and one Mo(3) atom. In the third S site, S(3) is bonded in a 2-coordinate geometry to one Sr(1), one Mo(3), and one S(3) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Mo(1), and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Sr(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.556
_cell_length_b   6.079
_cell_length_c   12.060
_cell_angle_alpha   44.063
_cell_angle_beta   137.833
_cell_angle_gamma   133.785
_symmetry_Int_Tables_number   1
_cell_volume   339.578
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.280  0.890  0.001  1.0
  Mo  Mo2  1  0.382  0.551  0.344  1.0
  Mo  Mo3  1  0.372  0.531  0.828  1.0
  Mo  Mo4  1  0.720  0.110  0.999  1.0
  Mo  Mo5  1  0.618  0.449  0.656  1.0
  Mo  Mo6  1  0.628  0.469  0.172  1.0
  S  S7  1  0.058  0.253  0.217  1.0
  S  S8  1  0.423  0.001  0.324  1.0
  S  S9  1  0.956  0.445  0.411  1.0
  S  S10  1  0.942  0.747  0.783  1.0
  S  S11  1  0.577  0.999  0.676  1.0
  S  S12  1  0.044  0.555  0.589  1.0
  S  S13  1  0.375  0.737  0.935  1.0
  S  S14  1  0.625  0.263  0.065  1.0
[/CIF]
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