The material described by KGaH4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), and six equivalent H(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one K(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_KGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   7.229
_cell_length_c   8.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.433
_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  0.342  0.682  1.0
  K  K1  1  0.250  0.158  0.182  1.0
  K  K2  1  0.750  0.658  0.318  1.0
  K  K3  1  0.750  0.842  0.818  1.0
  Ga  Ga4  1  0.250  0.690  0.062  1.0
  Ga  Ga5  1  0.250  0.810  0.562  1.0
  Ga  Ga6  1  0.750  0.310  0.938  1.0
  Ga  Ga7  1  0.750  0.190  0.438  1.0
  H  H8  1  0.250  0.607  0.899  1.0
  H  H9  1  0.250  0.893  0.399  1.0
  H  H10  1  0.750  0.393  0.101  1.0
  H  H11  1  0.750  0.107  0.601  1.0
  H  H12  1  0.250  0.538  0.189  1.0
  H  H13  1  0.250  0.962  0.689  1.0
  H  H14  1  0.750  0.462  0.811  1.0
  H  H15  1  0.750  0.038  0.311  1.0
  H  H16  1  0.983  0.182  0.917  1.0
  H  H17  1  0.517  0.318  0.417  1.0
  H  H18  1  0.483  0.818  0.083  1.0
  H  H19  1  0.017  0.682  0.583  1.0
  H  H20  1  0.017  0.818  0.083  1.0
  H  H21  1  0.483  0.682  0.583  1.0
  H  H22  1  0.517  0.182  0.917  1.0
  H  H23  1  0.983  0.318  0.417  1.0
[/CIF]
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The material described by KGaH4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), and six equivalent H(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one H(1), one H(2), and two equivalent H(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one Ga(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one K(1) and one Ga(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_KGaH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.509
_cell_length_b   7.229
_cell_length_c   8.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.433
_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  0.342  0.682  1.0
  K  K1  1  0.250  0.158  0.182  1.0
  K  K2  1  0.750  0.658  0.318  1.0
  K  K3  1  0.750  0.842  0.818  1.0
  Ga  Ga4  1  0.250  0.690  0.062  1.0
  Ga  Ga5  1  0.250  0.810  0.562  1.0
  Ga  Ga6  1  0.750  0.310  0.938  1.0
  Ga  Ga7  1  0.750  0.190  0.438  1.0
  H  H8  1  0.250  0.607  0.899  1.0
  H  H9  1  0.250  0.893  0.399  1.0
  H  H10  1  0.750  0.393  0.101  1.0
  H  H11  1  0.750  0.107  0.601  1.0
  H  H12  1  0.250  0.538  0.189  1.0
  H  H13  1  0.250  0.962  0.689  1.0
  H  H14  1  0.750  0.462  0.811  1.0
  H  H15  1  0.750  0.038  0.311  1.0
  H  H16  1  0.983  0.182  0.917  1.0
  H  H17  1  0.517  0.318  0.417  1.0
  H  H18  1  0.483  0.818  0.083  1.0
  H  H19  1  0.017  0.682  0.583  1.0
  H  H20  1  0.017  0.818  0.083  1.0
  H  H21  1  0.483  0.682  0.583  1.0
  H  H22  1  0.517  0.182  0.917  1.0
  H  H23  1  0.983  0.318  0.417  1.0
[/CIF]
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