The compound described by Mn4Sb3As is Modderite-derived structured and crystallizes in the trigonal P3m1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Sb(2) and three equivalent As(1) atoms to form distorted MnSb3As3 octahedra that share corners with six equivalent Mn(4)Sb3As3 octahedra, corners with six equivalent Mn(3)Sb6 octahedra, edges with six equivalent Mn(1)Sb3As3 octahedra,  a faceface with one Mn(4)Sb3As3 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Sb(3) atoms to form MnSb6 octahedra that share corners with six equivalent Mn(4)Sb3As3 octahedra, corners with six equivalent Mn(3)Sb6 octahedra, edges with six equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(4)Sb3As3 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form MnSb6 octahedra that share corners with six equivalent Mn(1)Sb3As3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(3)Sb6 octahedra,  a faceface with one Mn(1)Sb3As3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mn site, Mn(4) is bonded to three equivalent Sb(3) and three equivalent As(1) atoms to form distorted MnSb3As3 octahedra that share corners with six equivalent Mn(1)Sb3As3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(4)Sb3As3 octahedra,  a faceface with one Mn(1)Sb3As3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Mn(2) and three equivalent Mn(3) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(3) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent Mn(2) and three equivalent Mn(4) atoms. As(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(4) atoms. is represented by the CIF card [CIF]
data_Mn4Sb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.047
_cell_length_b   4.047
_cell_length_c   11.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   166.136
_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  0.616  1.0
  Mn  Mn1  1  0.000  0.000  0.128  1.0
  Mn  Mn2  1  0.000  0.000  0.873  1.0
  Mn  Mn3  1  0.000  0.000  0.383  1.0
  Sb  Sb4  1  0.667  0.333  0.000  1.0
  Sb  Sb5  1  0.333  0.667  0.746  1.0
  Sb  Sb6  1  0.333  0.667  0.254  1.0
  As  As7  1  0.667  0.333  0.500  1.0
[/CIF]
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The compound described by Mn4Sb3As is Modderite-derived structured and crystallizes in the trigonal P3m1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Sb(2) and three equivalent As(1) atoms to form distorted MnSb3As3 octahedra that share corners with six equivalent Mn(4)Sb3As3 octahedra, corners with six equivalent Mn(3)Sb6 octahedra, edges with six equivalent Mn(1)Sb3As3 octahedra,  a faceface with one Mn(4)Sb3As3 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Sb(3) atoms to form MnSb6 octahedra that share corners with six equivalent Mn(4)Sb3As3 octahedra, corners with six equivalent Mn(3)Sb6 octahedra, edges with six equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(4)Sb3As3 octahedra, and  a faceface with one Mn(3)Sb6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form MnSb6 octahedra that share corners with six equivalent Mn(1)Sb3As3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(3)Sb6 octahedra,  a faceface with one Mn(1)Sb3As3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mn site, Mn(4) is bonded to three equivalent Sb(3) and three equivalent As(1) atoms to form distorted MnSb3As3 octahedra that share corners with six equivalent Mn(1)Sb3As3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(4)Sb3As3 octahedra,  a faceface with one Mn(1)Sb3As3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Mn(2) and three equivalent Mn(3) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(3) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent Mn(2) and three equivalent Mn(4) atoms. As(1) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(4) atoms. is represented by the CIF card [CIF]
data_Mn4Sb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.047
_cell_length_b   4.047
_cell_length_c   11.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   166.136
_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  0.616  1.0
  Mn  Mn1  1  0.000  0.000  0.128  1.0
  Mn  Mn2  1  0.000  0.000  0.873  1.0
  Mn  Mn3  1  0.000  0.000  0.383  1.0
  Sb  Sb4  1  0.667  0.333  0.000  1.0
  Sb  Sb5  1  0.333  0.667  0.746  1.0
  Sb  Sb6  1  0.333  0.667  0.254  1.0
  As  As7  1  0.667  0.333  0.500  1.0
[/CIF]
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