The crystal structure described by BeSm3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. Sm(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cr(1) is bonded to six equivalent S(1) atoms to form face-sharing CrS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Sm(1) atoms. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to one Be(1) and three equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.796
_cell_length_b   9.796
_cell_length_c   5.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   498.329
_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
  Sm  Sm0  1  0.248  0.391  0.257  1.0
  Sm  Sm1  1  0.609  0.857  0.257  1.0
  Sm  Sm2  1  0.143  0.752  0.257  1.0
  Sm  Sm3  1  0.752  0.609  0.757  1.0
  Sm  Sm4  1  0.391  0.143  0.757  1.0
  Sm  Sm5  1  0.857  0.248  0.757  1.0
  Be  Be6  1  0.333  0.667  0.840  1.0
  Be  Be7  1  0.667  0.333  0.340  1.0
  Cr  Cr8  1  0.000  0.000  0.479  1.0
  Cr  Cr9  1  0.000  0.000  0.979  1.0
  S  S10  1  0.142  0.223  0.721  1.0
  S  S11  1  0.777  0.919  0.721  1.0
  S  S12  1  0.081  0.858  0.721  1.0
  S  S13  1  0.858  0.777  0.221  1.0
  S  S14  1  0.223  0.081  0.221  1.0
  S  S15  1  0.919  0.142  0.221  1.0
  S  S16  1  0.107  0.520  0.974  1.0
  S  S17  1  0.480  0.587  0.974  1.0
  S  S18  1  0.413  0.893  0.974  1.0
  S  S19  1  0.893  0.480  0.474  1.0
  S  S20  1  0.520  0.413  0.474  1.0
  S  S21  1  0.587  0.107  0.474  1.0
  S  S22  1  0.333  0.667  0.491  1.0
  S  S23  1  0.667  0.333  0.991  1.0
[/CIF]
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The crystal structure described by BeSm3CrS7 crystallizes in the hexagonal P6_3 space group. Be(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. Sm(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Cr(1) is bonded to six equivalent S(1) atoms to form face-sharing CrS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Sm(1) atoms. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to one Be(1) and three equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_Sm3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.796
_cell_length_b   9.796
_cell_length_c   5.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   498.329
_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
  Sm  Sm0  1  0.248  0.391  0.257  1.0
  Sm  Sm1  1  0.609  0.857  0.257  1.0
  Sm  Sm2  1  0.143  0.752  0.257  1.0
  Sm  Sm3  1  0.752  0.609  0.757  1.0
  Sm  Sm4  1  0.391  0.143  0.757  1.0
  Sm  Sm5  1  0.857  0.248  0.757  1.0
  Be  Be6  1  0.333  0.667  0.840  1.0
  Be  Be7  1  0.667  0.333  0.340  1.0
  Cr  Cr8  1  0.000  0.000  0.479  1.0
  Cr  Cr9  1  0.000  0.000  0.979  1.0
  S  S10  1  0.142  0.223  0.721  1.0
  S  S11  1  0.777  0.919  0.721  1.0
  S  S12  1  0.081  0.858  0.721  1.0
  S  S13  1  0.858  0.777  0.221  1.0
  S  S14  1  0.223  0.081  0.221  1.0
  S  S15  1  0.919  0.142  0.221  1.0
  S  S16  1  0.107  0.520  0.974  1.0
  S  S17  1  0.480  0.587  0.974  1.0
  S  S18  1  0.413  0.893  0.974  1.0
  S  S19  1  0.893  0.480  0.474  1.0
  S  S20  1  0.520  0.413  0.474  1.0
  S  S21  1  0.587  0.107  0.474  1.0
  S  S22  1  0.333  0.667  0.491  1.0
  S  S23  1  0.667  0.333  0.991  1.0
[/CIF]
.