data_KAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAs2P
_chemical_formula_sum   'K1 As2 P1'
_cell_volume   92.56
_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  0.61  0.61  0.71  1.0
  As  As0  1  0.61  0.61  0.33  1.0
  As  As1  1  0.0  0.0  0.08  1.0
  P  P3  1  0.0  0.0  0.22  1.0

data_KAs2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAs2P
_chemical_formula_sum   'K2 As4 P2'
_cell_volume   185.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.5  0.71  1.0
  As  As1  2  0.0  0.0  0.08  1.0
  As  As2  2  0.11  0.5  0.33  1.0
  P  P3  2  0.0  0.0  0.22  1.0

K As As P
K As As P 0 0 + o o 0 0 o + o 0 1 o o o 0 2 + + + 1 3 + + o 2 3 o o o 
KAs2P crystallizes in the monoclinic Cm space group. K(1) is bonded in a 6-coordinate geometry to four equivalent K(1), one As(1), and one As(2) atom. All K(1)-K(1) bond lengths are 3.22 Å. The K(1)-As(1) bond length is 3.40 Å. The K(1)-As(2) bond length is 3.73 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one K(1) and three equivalent P(1) atoms. There is one shorter (2.03 Å) and two longer (2.52 Å) As(1)-P(1) bond lengths. In the second As site, As(2) is bonded in a single-bond geometry to one K(1) and one P(1) atom. The As(2)-P(1) bond length is 1.28 Å. P(1) is bonded in a 1-coordinate geometry to one As(2) and three equivalent As(1) atoms.