The crystal structure described by Mn3As2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(2) and three equivalent As(1) atoms to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(3)As6 octahedra, corners with eight equivalent Mn(2)As5 square pyramids, edges with three equivalent Mn(3)As6 octahedra, edges with two equivalent Mn(2)As5 square pyramids, and edges with four equivalent Mn(1)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. In the second Mn site, Mn(2) is bonded to two equivalent As(1) and three equivalent As(2) atoms to form distorted MnAs5 square pyramids that share corners with four equivalent Mn(3)As6 octahedra, corners with eight equivalent Mn(1)As5 trigonal bipyramids, edges with four equivalent Mn(2)As5 square pyramids, edges with two equivalent Mn(1)As5 trigonal bipyramids, and  a faceface with one Mn(3)As6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the third Mn site, Mn(3) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with eight equivalent Mn(2)As5 square pyramids, corners with four equivalent Mn(1)As5 trigonal bipyramids, edges with two equivalent Mn(3)As6 octahedra, edges with six equivalent Mn(1)As5 trigonal bipyramids, and faces with two equivalent Mn(2)As5 square pyramids. In the fourth Mn site, Mn(4) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Mn(4), two equivalent Mn(2), two equivalent Mn(3), and three equivalent Mn(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.665
_cell_length_b   6.665
_cell_length_c   8.702
_cell_angle_alpha   50.040
_cell_angle_beta   50.040
_cell_angle_gamma   30.278
_symmetry_Int_Tables_number   1
_cell_volume   145.507
_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
  Mn  Mn0  1  0.304  0.304  0.326  1.0
  Mn  Mn1  1  0.696  0.696  0.674  1.0
  Mn  Mn2  1  0.393  0.393  0.910  1.0
  Mn  Mn3  1  0.607  0.607  0.090  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.060  0.060  0.655  1.0
  As  As7  1  0.940  0.940  0.345  1.0
  As  As8  1  0.250  0.250  0.821  1.0
  As  As9  1  0.750  0.750  0.179  1.0
[/CIF]
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The crystal structure described by Mn3As2 crystallizes in the monoclinic C2/m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent As(2) and three equivalent As(1) atoms to form distorted MnAs5 trigonal bipyramids that share corners with two equivalent Mn(3)As6 octahedra, corners with eight equivalent Mn(2)As5 square pyramids, edges with three equivalent Mn(3)As6 octahedra, edges with two equivalent Mn(2)As5 square pyramids, and edges with four equivalent Mn(1)As5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. In the second Mn site, Mn(2) is bonded to two equivalent As(1) and three equivalent As(2) atoms to form distorted MnAs5 square pyramids that share corners with four equivalent Mn(3)As6 octahedra, corners with eight equivalent Mn(1)As5 trigonal bipyramids, edges with four equivalent Mn(2)As5 square pyramids, edges with two equivalent Mn(1)As5 trigonal bipyramids, and  a faceface with one Mn(3)As6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the third Mn site, Mn(3) is bonded to two equivalent As(2) and four equivalent As(1) atoms to form MnAs6 octahedra that share corners with eight equivalent Mn(2)As5 square pyramids, corners with four equivalent Mn(1)As5 trigonal bipyramids, edges with two equivalent Mn(3)As6 octahedra, edges with six equivalent Mn(1)As5 trigonal bipyramids, and faces with two equivalent Mn(2)As5 square pyramids. In the fourth Mn site, Mn(4) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Mn(4), two equivalent Mn(2), two equivalent Mn(3), and three equivalent Mn(1) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.665
_cell_length_b   6.665
_cell_length_c   8.702
_cell_angle_alpha   50.040
_cell_angle_beta   50.040
_cell_angle_gamma   30.278
_symmetry_Int_Tables_number   1
_cell_volume   145.507
_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
  Mn  Mn0  1  0.304  0.304  0.326  1.0
  Mn  Mn1  1  0.696  0.696  0.674  1.0
  Mn  Mn2  1  0.393  0.393  0.910  1.0
  Mn  Mn3  1  0.607  0.607  0.090  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.060  0.060  0.655  1.0
  As  As7  1  0.940  0.940  0.345  1.0
  As  As8  1  0.250  0.250  0.821  1.0
  As  As9  1  0.750  0.750  0.179  1.0
[/CIF]
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