The material structure described by CoMnSb crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms. In the third Mn site, Mn(3) is bonded in an octahedral geometry to six equivalent Sb(2) atoms. Co(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to six equivalent Mn(1) and four equivalent Co(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Mn(3), four equivalent Mn(1), and four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MnCoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.252
_cell_length_b   8.252
_cell_length_c   8.252
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   397.409
_cell_formula_units_Z   8
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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.000  1.0
  Co  Co8  1  0.122  0.122  0.122  1.0
  Co  Co9  1  0.633  0.122  0.122  1.0
  Co  Co10  1  0.122  0.122  0.633  1.0
  Co  Co11  1  0.878  0.367  0.878  1.0
  Co  Co12  1  0.122  0.633  0.122  1.0
  Co  Co13  1  0.367  0.878  0.878  1.0
  Co  Co14  1  0.878  0.878  0.367  1.0
  Co  Co15  1  0.878  0.878  0.878  1.0
  Sb  Sb16  1  0.250  0.250  0.250  1.0
  Sb  Sb17  1  0.258  0.742  0.258  1.0
  Sb  Sb18  1  0.258  0.258  0.742  1.0
  Sb  Sb19  1  0.742  0.258  0.258  1.0
  Sb  Sb20  1  0.258  0.742  0.742  1.0
  Sb  Sb21  1  0.742  0.742  0.258  1.0
  Sb  Sb22  1  0.742  0.258  0.742  1.0
  Sb  Sb23  1  0.750  0.750  0.750  1.0
[/CIF]
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The material structure described by CoMnSb crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to eight equivalent Co(1) atoms. In the third Mn site, Mn(3) is bonded in an octahedral geometry to six equivalent Sb(2) atoms. Co(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to six equivalent Mn(1) and four equivalent Co(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Mn(3), four equivalent Mn(1), and four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MnCoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.252
_cell_length_b   8.252
_cell_length_c   8.252
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   397.409
_cell_formula_units_Z   8
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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.000  1.0
  Co  Co8  1  0.122  0.122  0.122  1.0
  Co  Co9  1  0.633  0.122  0.122  1.0
  Co  Co10  1  0.122  0.122  0.633  1.0
  Co  Co11  1  0.878  0.367  0.878  1.0
  Co  Co12  1  0.122  0.633  0.122  1.0
  Co  Co13  1  0.367  0.878  0.878  1.0
  Co  Co14  1  0.878  0.878  0.367  1.0
  Co  Co15  1  0.878  0.878  0.878  1.0
  Sb  Sb16  1  0.250  0.250  0.250  1.0
  Sb  Sb17  1  0.258  0.742  0.258  1.0
  Sb  Sb18  1  0.258  0.258  0.742  1.0
  Sb  Sb19  1  0.742  0.258  0.258  1.0
  Sb  Sb20  1  0.258  0.742  0.742  1.0
  Sb  Sb21  1  0.742  0.742  0.258  1.0
  Sb  Sb22  1  0.742  0.258  0.742  1.0
  Sb  Sb23  1  0.750  0.750  0.750  1.0
[/CIF]
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