The structure described by Mn2SbAs is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the hexagonal P-6m2 space group. Mn(1) is bonded to three equivalent Sb(1) and three equivalent As(1) atoms to form a mixture of distorted corner, face, and edge-sharing MnSb3As3 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. As(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   3.932
_cell_length_c   5.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   78.583
_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  0.235  1.0
  Mn  Mn1  1  0.000  0.000  0.765  1.0
  Sb  Sb2  1  0.333  0.667  0.500  1.0
  As  As3  1  0.667  0.333  0.000  1.0
[/CIF]
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The structure described by Mn2SbAs is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the hexagonal P-6m2 space group. Mn(1) is bonded to three equivalent Sb(1) and three equivalent As(1) atoms to form a mixture of distorted corner, face, and edge-sharing MnSb3As3 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. As(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.932
_cell_length_b   3.932
_cell_length_c   5.868
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   78.583
_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  0.235  1.0
  Mn  Mn1  1  0.000  0.000  0.765  1.0
  Sb  Sb2  1  0.333  0.667  0.500  1.0
  As  As3  1  0.667  0.333  0.000  1.0
[/CIF]
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