The crystal structure described by BeZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to one S(2) and three equivalent S(1) atoms to form BeS4 tetrahedra that share corners with six equivalent Be(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to one S(1) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with six equivalent Be(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Be(1) and one Zn(1) atom to form SBe3Zn tetrahedra that share corners with six equivalent S(1)Be3Zn tetrahedra and corners with six equivalent S(2)BeZn3 tetrahedra. In the second S site, S(2) is bonded to one Be(1) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with six equivalent S(1)Be3Zn tetrahedra and corners with six equivalent S(2)BeZn3 tetrahedra. is represented by the CIF file [CIF]
data_BeZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   6.345
_cell_angle_alpha   33.484
_cell_angle_beta   33.484
_cell_angle_gamma   33.484
_symmetry_Int_Tables_number   1
_cell_volume   69.233
_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
  Be  Be0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.001  0.001  0.001  1.0
  S  S2  1  0.131  0.131  0.131  1.0
  S  S3  1  0.617  0.617  0.617  1.0
[/CIF]
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The crystal structure described by BeZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to one S(2) and three equivalent S(1) atoms to form BeS4 tetrahedra that share corners with six equivalent Be(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to one S(1) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with six equivalent Be(1)S4 tetrahedra and corners with six equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Be(1) and one Zn(1) atom to form SBe3Zn tetrahedra that share corners with six equivalent S(1)Be3Zn tetrahedra and corners with six equivalent S(2)BeZn3 tetrahedra. In the second S site, S(2) is bonded to one Be(1) and three equivalent Zn(1) atoms to form SBeZn3 tetrahedra that share corners with six equivalent S(1)Be3Zn tetrahedra and corners with six equivalent S(2)BeZn3 tetrahedra. is represented by the CIF file [CIF]
data_BeZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.345
_cell_length_b   6.345
_cell_length_c   6.345
_cell_angle_alpha   33.484
_cell_angle_beta   33.484
_cell_angle_gamma   33.484
_symmetry_Int_Tables_number   1
_cell_volume   69.233
_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
  Be  Be0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.001  0.001  0.001  1.0
  S  S2  1  0.131  0.131  0.131  1.0
  S  S3  1  0.617  0.617  0.617  1.0
[/CIF]
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