data_K2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiMo
_chemical_formula_sum   'K2 Si1 Mo1'
_cell_volume   91.53
_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  0.95  0.0  0.76  1.0
  K  K1  1  0.95  0.0  0.02  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.89  1.0

data_K2SiMo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2SiMo
_chemical_formula_sum   'K2 Si1 Mo1'
_cell_volume   91.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.95  0.0  0.02  1.0
  K  K1  1  0.95  0.0  0.76  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.89  1.0

K K Si Mo
K2MoSi is Cyanogen Chloride-like structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one K2MoSi cluster. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one Mo(1) atom. The K(1)-Mo(1) bond length is 1.55 Å. In the second K site, K(2) is bonded in a single-bond geometry to one Si(1) atom. The K(2)-Si(1) bond length is 0.29 Å. Mo(1) is bonded in a linear geometry to one K(1) and one Si(1) atom. The Mo(1)-Si(1) bond length is 1.29 Å. Si(1) is bonded in a distorted single-bond geometry to one K(2) and one Mo(1) atom.