The structure described by Mo2As3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one As(1), two equivalent As(3), and three equivalent As(2) atoms to form distorted edge-sharing MoAs6 octahedra. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one As(2), two equivalent As(3), and three equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one Mo(1), three equivalent Mo(2), and one As(1) atom. In the second As site, As(2) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third As site, As(3) is bonded in a 5-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and one As(3) atom. is represented by the CIF file [CIF]
data_Mo2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.277
_cell_length_b   6.896
_cell_length_c   8.199
_cell_angle_alpha   79.074
_cell_angle_beta   78.472
_cell_angle_gamma   76.256
_symmetry_Int_Tables_number   1
_cell_volume   174.374
_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
  Mo  Mo0  1  0.248  0.875  0.628  1.0
  Mo  Mo1  1  0.752  0.125  0.372  1.0
  Mo  Mo2  1  0.351  0.433  0.866  1.0
  Mo  Mo3  1  0.649  0.567  0.134  1.0
  As  As4  1  0.128  0.789  0.954  1.0
  As  As5  1  0.872  0.211  0.046  1.0
  As  As6  1  0.413  0.858  0.315  1.0
  As  As7  1  0.587  0.142  0.685  1.0
  As  As8  1  0.105  0.420  0.371  1.0
  As  As9  1  0.895  0.580  0.629  1.0
[/CIF]
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The structure described by Mo2As3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one As(1), two equivalent As(3), and three equivalent As(2) atoms to form distorted edge-sharing MoAs6 octahedra. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one As(2), two equivalent As(3), and three equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one Mo(1), three equivalent Mo(2), and one As(1) atom. In the second As site, As(2) is bonded in a 4-coordinate geometry to one Mo(2) and three equivalent Mo(1) atoms. In the third As site, As(3) is bonded in a 5-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and one As(3) atom. is represented by the CIF file [CIF]
data_Mo2As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.277
_cell_length_b   6.896
_cell_length_c   8.199
_cell_angle_alpha   79.074
_cell_angle_beta   78.472
_cell_angle_gamma   76.256
_symmetry_Int_Tables_number   1
_cell_volume   174.374
_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
  Mo  Mo0  1  0.248  0.875  0.628  1.0
  Mo  Mo1  1  0.752  0.125  0.372  1.0
  Mo  Mo2  1  0.351  0.433  0.866  1.0
  Mo  Mo3  1  0.649  0.567  0.134  1.0
  As  As4  1  0.128  0.789  0.954  1.0
  As  As5  1  0.872  0.211  0.046  1.0
  As  As6  1  0.413  0.858  0.315  1.0
  As  As7  1  0.587  0.142  0.685  1.0
  As  As8  1  0.105  0.420  0.371  1.0
  As  As9  1  0.895  0.580  0.629  1.0
[/CIF]
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