The crystal structure described by KSiH3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. Si(1) is bonded in a 3-coordinate geometry to one H(2) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent K(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing HK3Si tetrahedra. In the second H site, H(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.877
_cell_length_c   8.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.757
_cell_formula_units_Z   4
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  0.250  0.351  0.686  1.0
  K  K1  1  0.750  0.649  0.314  1.0
  K  K2  1  0.750  0.851  0.814  1.0
  K  K3  1  0.250  0.149  0.186  1.0
  Si  Si4  1  0.250  0.849  0.546  1.0
  Si  Si5  1  0.750  0.151  0.454  1.0
  Si  Si6  1  0.750  0.349  0.954  1.0
  Si  Si7  1  0.250  0.651  0.046  1.0
  H  H8  1  0.961  0.299  0.419  1.0
  H  H9  1  0.461  0.701  0.581  1.0
  H  H10  1  0.039  0.799  0.081  1.0
  H  H11  1  0.539  0.201  0.919  1.0
  H  H12  1  0.039  0.701  0.581  1.0
  H  H13  1  0.539  0.299  0.419  1.0
  H  H14  1  0.961  0.201  0.919  1.0
  H  H15  1  0.461  0.799  0.081  1.0
  H  H16  1  0.250  0.696  0.875  1.0
  H  H17  1  0.750  0.304  0.125  1.0
  H  H18  1  0.750  0.196  0.625  1.0
  H  H19  1  0.250  0.804  0.375  1.0
[/CIF]
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The crystal structure described by KSiH3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. Si(1) is bonded in a 3-coordinate geometry to one H(2) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent K(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing HK3Si tetrahedra. In the second H site, H(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSiH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.877
_cell_length_c   8.771
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   319.757
_cell_formula_units_Z   4
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  0.250  0.351  0.686  1.0
  K  K1  1  0.750  0.649  0.314  1.0
  K  K2  1  0.750  0.851  0.814  1.0
  K  K3  1  0.250  0.149  0.186  1.0
  Si  Si4  1  0.250  0.849  0.546  1.0
  Si  Si5  1  0.750  0.151  0.454  1.0
  Si  Si6  1  0.750  0.349  0.954  1.0
  Si  Si7  1  0.250  0.651  0.046  1.0
  H  H8  1  0.961  0.299  0.419  1.0
  H  H9  1  0.461  0.701  0.581  1.0
  H  H10  1  0.039  0.799  0.081  1.0
  H  H11  1  0.539  0.201  0.919  1.0
  H  H12  1  0.039  0.701  0.581  1.0
  H  H13  1  0.539  0.299  0.419  1.0
  H  H14  1  0.961  0.201  0.919  1.0
  H  H15  1  0.461  0.799  0.081  1.0
  H  H16  1  0.250  0.696  0.875  1.0
  H  H17  1  0.750  0.304  0.125  1.0
  H  H18  1  0.750  0.196  0.625  1.0
  H  H19  1  0.250  0.804  0.375  1.0
[/CIF]
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