The structure described by KLiAs crystallizes in the orthorhombic Pmma space group. The structure is zero-dimensional and consists of two KLiAs clusters. K(1) is bonded in a 2-coordinate geometry to one Li(1) and one As(1) atom. Li(1) is bonded in a 2-coordinate geometry to one K(1) and two equivalent As(1) atoms. As(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Li(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KLiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   12.868
_cell_length_c   14.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   809.720
_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  0.500  0.818  0.728  1.0
  K  K1  1  0.500  0.818  0.272  1.0
  K  K2  1  0.500  0.182  0.228  1.0
  K  K3  1  0.500  0.182  0.772  1.0
  Li  Li4  1  0.500  0.432  0.886  1.0
  Li  Li5  1  0.500  0.432  0.114  1.0
  Li  Li6  1  0.500  0.568  0.386  1.0
  Li  Li7  1  0.500  0.568  0.614  1.0
  As  As8  1  0.500  0.583  0.215  1.0
  As  As9  1  0.500  0.583  0.785  1.0
  As  As10  1  0.500  0.417  0.715  1.0
  As  As11  1  0.500  0.417  0.285  1.0
[/CIF]
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The structure described by KLiAs crystallizes in the orthorhombic Pmma space group. The structure is zero-dimensional and consists of two KLiAs clusters. K(1) is bonded in a 2-coordinate geometry to one Li(1) and one As(1) atom. Li(1) is bonded in a 2-coordinate geometry to one K(1) and two equivalent As(1) atoms. As(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Li(1), and one As(1) atom. is represented by the CIF card [CIF]
data_KLiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.312
_cell_length_b   12.868
_cell_length_c   14.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   809.720
_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  0.500  0.818  0.728  1.0
  K  K1  1  0.500  0.818  0.272  1.0
  K  K2  1  0.500  0.182  0.228  1.0
  K  K3  1  0.500  0.182  0.772  1.0
  Li  Li4  1  0.500  0.432  0.886  1.0
  Li  Li5  1  0.500  0.432  0.114  1.0
  Li  Li6  1  0.500  0.568  0.386  1.0
  Li  Li7  1  0.500  0.568  0.614  1.0
  As  As8  1  0.500  0.583  0.215  1.0
  As  As9  1  0.500  0.583  0.785  1.0
  As  As10  1  0.500  0.417  0.715  1.0
  As  As11  1  0.500  0.417  0.285  1.0
[/CIF]
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