The material described by VMnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent V(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SMn3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MnVS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   3.682
_cell_length_c   5.962
_cell_angle_alpha   72.015
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   65.402
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  S  S2  1  0.246  0.492  0.262  1.0
  S  S3  1  0.754  0.508  0.738  1.0
[/CIF]
.
The material described by VMnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. V(1) is bonded to six equivalent S(1) atoms to form VS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent V(1)S6 octahedra, edges with six equivalent V(1)S6 octahedra, and edges with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 2°. S(1) is bonded to three equivalent V(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SMn3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MnVS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   3.682
_cell_length_c   5.962
_cell_angle_alpha   72.015
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   65.402
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  S  S2  1  0.246  0.492  0.262  1.0
  S  S3  1  0.754  0.508  0.738  1.0
[/CIF]
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