The structure described by Ba2(CrS2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), two equivalent S(8), and two equivalent S(9) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(8), one S(9), two equivalent S(1), two equivalent S(4), and three equivalent S(10) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Cr site, Cr(3) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form face-sharing CrS6 octahedra. In the fifth Cr site, Cr(5) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(7) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(5), and two equivalent Cr(2) atoms. In the fifth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the sixth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the seventh S site, S(6) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(5), and two equivalent Cr(2) atoms. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the ninth S site, S(8) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the tenth S site, S(9) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2(CrS2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   6.828
_cell_length_c   17.240
_cell_angle_alpha   95.357
_cell_angle_beta   92.086
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   697.511
_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
  Ba  Ba0  1  0.358  0.316  0.768  1.0
  Ba  Ba1  1  0.642  0.684  0.232  1.0
  Ba  Ba2  1  0.760  0.263  0.556  1.0
  Ba  Ba3  1  0.240  0.737  0.444  1.0
  Cr  Cr4  1  0.723  0.830  0.828  1.0
  Cr  Cr5  1  0.277  0.170  0.172  1.0
  Cr  Cr6  1  0.765  0.375  0.002  1.0
  Cr  Cr7  1  0.235  0.625  0.998  1.0
  Cr  Cr8  1  0.085  0.791  0.666  1.0
  Cr  Cr9  1  0.915  0.209  0.334  1.0
  Cr  Cr10  1  0.578  0.788  0.657  1.0
  Cr  Cr11  1  0.422  0.212  0.343  1.0
  Cr  Cr12  1  0.244  0.122  0.990  1.0
  Cr  Cr13  1  0.756  0.878  0.010  1.0
  S  S14  1  0.325  0.537  0.609  1.0
  S  S15  1  0.675  0.463  0.391  1.0
  S  S16  1  0.358  0.816  0.775  1.0
  S  S17  1  0.642  0.184  0.225  1.0
  S  S18  1  0.071  0.359  0.919  1.0
  S  S19  1  0.929  0.641  0.081  1.0
  S  S20  1  0.325  0.017  0.610  1.0
  S  S21  1  0.675  0.983  0.390  1.0
  S  S22  1  0.057  0.853  0.919  1.0
  S  S23  1  0.943  0.147  0.081  1.0
  S  S24  1  0.581  0.611  0.926  1.0
  S  S25  1  0.419  0.389  0.074  1.0
  S  S26  1  0.589  0.104  0.922  1.0
  S  S27  1  0.411  0.896  0.078  1.0
  S  S28  1  0.835  0.578  0.732  1.0
  S  S29  1  0.165  0.422  0.268  1.0
  S  S30  1  0.836  0.035  0.731  1.0
  S  S31  1  0.164  0.965  0.269  1.0
  S  S32  1  0.828  0.764  0.559  1.0
  S  S33  1  0.172  0.236  0.441  1.0
[/CIF]
.
The structure described by Ba2(CrS2)5 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one S(1), one S(3), one S(4), one S(6), one S(7), two equivalent S(2), two equivalent S(8), and two equivalent S(9) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(8), one S(9), two equivalent S(1), two equivalent S(4), and three equivalent S(10) atoms. There are five inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(5), one S(6), one S(7), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form a mixture of corner and edge-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Cr site, Cr(3) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the fourth Cr site, Cr(4) is bonded to one S(1), one S(10), one S(2), one S(4), one S(8), and one S(9) atom to form face-sharing CrS6 octahedra. In the fifth Cr site, Cr(5) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(7) atoms to form a mixture of corner, edge, and face-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are ten inequivalent S sites. In the first S site, S(10) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the third S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Cr(5), and two equivalent Cr(2) atoms. In the fifth S site, S(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Cr(3), and one Cr(4) atom. In the sixth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the seventh S site, S(6) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(5), and two equivalent Cr(2) atoms. In the eighth S site, S(7) is bonded in a 5-coordinate geometry to one Ba(1), one Cr(1), one Cr(2), and two equivalent Cr(5) atoms. In the ninth S site, S(8) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. In the tenth S site, S(9) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Cr(1), one Cr(3), and one Cr(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2(CrS2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   6.828
_cell_length_c   17.240
_cell_angle_alpha   95.357
_cell_angle_beta   92.086
_cell_angle_gamma   89.983
_symmetry_Int_Tables_number   1
_cell_volume   697.511
_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
  Ba  Ba0  1  0.358  0.316  0.768  1.0
  Ba  Ba1  1  0.642  0.684  0.232  1.0
  Ba  Ba2  1  0.760  0.263  0.556  1.0
  Ba  Ba3  1  0.240  0.737  0.444  1.0
  Cr  Cr4  1  0.723  0.830  0.828  1.0
  Cr  Cr5  1  0.277  0.170  0.172  1.0
  Cr  Cr6  1  0.765  0.375  0.002  1.0
  Cr  Cr7  1  0.235  0.625  0.998  1.0
  Cr  Cr8  1  0.085  0.791  0.666  1.0
  Cr  Cr9  1  0.915  0.209  0.334  1.0
  Cr  Cr10  1  0.578  0.788  0.657  1.0
  Cr  Cr11  1  0.422  0.212  0.343  1.0
  Cr  Cr12  1  0.244  0.122  0.990  1.0
  Cr  Cr13  1  0.756  0.878  0.010  1.0
  S  S14  1  0.325  0.537  0.609  1.0
  S  S15  1  0.675  0.463  0.391  1.0
  S  S16  1  0.358  0.816  0.775  1.0
  S  S17  1  0.642  0.184  0.225  1.0
  S  S18  1  0.071  0.359  0.919  1.0
  S  S19  1  0.929  0.641  0.081  1.0
  S  S20  1  0.325  0.017  0.610  1.0
  S  S21  1  0.675  0.983  0.390  1.0
  S  S22  1  0.057  0.853  0.919  1.0
  S  S23  1  0.943  0.147  0.081  1.0
  S  S24  1  0.581  0.611  0.926  1.0
  S  S25  1  0.419  0.389  0.074  1.0
  S  S26  1  0.589  0.104  0.922  1.0
  S  S27  1  0.411  0.896  0.078  1.0
  S  S28  1  0.835  0.578  0.732  1.0
  S  S29  1  0.165  0.422  0.268  1.0
  S  S30  1  0.836  0.035  0.731  1.0
  S  S31  1  0.164  0.965  0.269  1.0
  S  S32  1  0.828  0.764  0.559  1.0
  S  S33  1  0.172  0.236  0.441  1.0
[/CIF]
.