The structure described by BeY3CrS7 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. Y(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) 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 to three equivalent Y(1) and two equivalent Cr(1) atoms to form distorted SY3Cr2 square pyramids that share corners with two equivalent S(1)Y3Cr2 square pyramids, corners with three equivalent S(3)Y3Be trigonal pyramids, edges with four equivalent S(1)Y3Cr2 square pyramids, and faces with two equivalent S(1)Y3Cr2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Y(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Y(1) atoms to form distorted corner-sharing SY3Be trigonal pyramids. is represented by the CIF card [CIF]
data_Y3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   9.589
_cell_length_c   6.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   478.230
_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
  Y  Y0  1  0.245  0.393  0.265  1.0
  Y  Y1  1  0.607  0.852  0.265  1.0
  Y  Y2  1  0.148  0.755  0.265  1.0
  Y  Y3  1  0.755  0.607  0.765  1.0
  Y  Y4  1  0.393  0.148  0.765  1.0
  Y  Y5  1  0.852  0.245  0.765  1.0
  Be  Be6  1  0.333  0.667  0.848  1.0
  Be  Be7  1  0.667  0.333  0.348  1.0
  Cr  Cr8  1  0.000  0.000  0.461  1.0
  Cr  Cr9  1  0.000  0.000  0.961  1.0
  S  S10  1  0.138  0.227  0.704  1.0
  S  S11  1  0.773  0.912  0.704  1.0
  S  S12  1  0.088  0.862  0.704  1.0
  S  S13  1  0.862  0.773  0.204  1.0
  S  S14  1  0.227  0.088  0.204  1.0
  S  S15  1  0.912  0.138  0.204  1.0
  S  S16  1  0.103  0.520  0.985  1.0
  S  S17  1  0.480  0.583  0.985  1.0
  S  S18  1  0.417  0.897  0.985  1.0
  S  S19  1  0.897  0.480  0.485  1.0
  S  S20  1  0.520  0.417  0.485  1.0
  S  S21  1  0.583  0.103  0.485  1.0
  S  S22  1  0.333  0.667  0.498  1.0
  S  S23  1  0.667  0.333  0.998  1.0
[/CIF]
.
The structure described by BeY3CrS7 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. Y(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) 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 to three equivalent Y(1) and two equivalent Cr(1) atoms to form distorted SY3Cr2 square pyramids that share corners with two equivalent S(1)Y3Cr2 square pyramids, corners with three equivalent S(3)Y3Be trigonal pyramids, edges with four equivalent S(1)Y3Cr2 square pyramids, and faces with two equivalent S(1)Y3Cr2 square pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Be(1) and three equivalent Y(1) atoms. In the third S site, S(3) is bonded to one Be(1) and three equivalent Y(1) atoms to form distorted corner-sharing SY3Be trigonal pyramids. is represented by the CIF card [CIF]
data_Y3BeCrS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   9.589
_cell_length_c   6.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   478.230
_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
  Y  Y0  1  0.245  0.393  0.265  1.0
  Y  Y1  1  0.607  0.852  0.265  1.0
  Y  Y2  1  0.148  0.755  0.265  1.0
  Y  Y3  1  0.755  0.607  0.765  1.0
  Y  Y4  1  0.393  0.148  0.765  1.0
  Y  Y5  1  0.852  0.245  0.765  1.0
  Be  Be6  1  0.333  0.667  0.848  1.0
  Be  Be7  1  0.667  0.333  0.348  1.0
  Cr  Cr8  1  0.000  0.000  0.461  1.0
  Cr  Cr9  1  0.000  0.000  0.961  1.0
  S  S10  1  0.138  0.227  0.704  1.0
  S  S11  1  0.773  0.912  0.704  1.0
  S  S12  1  0.088  0.862  0.704  1.0
  S  S13  1  0.862  0.773  0.204  1.0
  S  S14  1  0.227  0.088  0.204  1.0
  S  S15  1  0.912  0.138  0.204  1.0
  S  S16  1  0.103  0.520  0.985  1.0
  S  S17  1  0.480  0.583  0.985  1.0
  S  S18  1  0.417  0.897  0.985  1.0
  S  S19  1  0.897  0.480  0.485  1.0
  S  S20  1  0.520  0.417  0.485  1.0
  S  S21  1  0.583  0.103  0.485  1.0
  S  S22  1  0.333  0.667  0.498  1.0
  S  S23  1  0.667  0.333  0.998  1.0
[/CIF]
.