The compound described by Mn3CoAs2 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent As(1) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Co(1) and five equivalent As(1) atoms. Co(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent As(1) atoms to form a mixture of corner and face-sharing CoMn8As4 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to two equivalent Mn(1), five equivalent Mn(2), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3CoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.689
_cell_length_b   3.689
_cell_length_c   6.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.528
_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  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.676  1.0
  Mn  Mn2  1  0.000  0.500  0.324  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  As  As4  1  0.500  0.000  0.267  1.0
  As  As5  1  0.000  0.500  0.733  1.0
[/CIF]
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The compound described by Mn3CoAs2 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent As(1) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Co(1) and five equivalent As(1) atoms. Co(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent As(1) atoms to form a mixture of corner and face-sharing CoMn8As4 cuboctahedra. As(1) is bonded in a 9-coordinate geometry to two equivalent Mn(1), five equivalent Mn(2), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3CoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.689
_cell_length_b   3.689
_cell_length_c   6.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   83.528
_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  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.676  1.0
  Mn  Mn2  1  0.000  0.500  0.324  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  As  As4  1  0.500  0.000  0.267  1.0
  As  As5  1  0.000  0.500  0.733  1.0
[/CIF]
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