data_KMnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   159.09
_cell_angle_beta   154.41
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnAs2
_chemical_formula_sum   'K1 Mn1 As2'
_cell_volume   80.09
_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
  K  K2  1  0.0  0.0  0.56  1.0
  Mn  Mn3  1  0.0  0.78  0.54  1.0
  As  As0  1  0.0  0.0  0.06  1.0
  As  As1  1  0.46  0.0  0.66  1.0

data_KMnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.56
_cell_length_c   8.04
_cell_angle_alpha   102.8
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnAs2
_chemical_formula_sum   'K1 Mn1 As2'
_cell_volume   80.09
_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
  K  K0  1  0.0  0.56  0.56  1.0
  Mn  Mn1  1  0.22  0.76  0.76  1.0
  As  As2  1  0.0  0.06  0.06  1.0
  As  As3  1  0.0  0.66  0.2  1.0

K Mn As As
KMnAs2 crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted single-bond geometry to one Mn(1) and one As(2) atom. The K(1)-Mn(1) bond length is 1.59 Å. The K(1)-As(2) bond length is 2.98 Å. Mn(1) is bonded in a distorted single-bond geometry to one K(1) and two equivalent As(1) atoms. There is one shorter (2.59 Å) and one longer (2.99 Å) Mn(1)-As(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Mn(1), two equivalent As(1), and two equivalent As(2) atoms. Both As(1)-As(1) bond lengths are 2.92 Å. There is one shorter (2.03 Å) and one longer (2.23 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 3-coordinate geometry to one K(1) and two equivalent As(1) atoms.