The crystal structure described by K4BeAs2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent As(1) atoms. In the second K site, K(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. Be(1) is bonded in a linear geometry to six equivalent K(1) and two equivalent As(1) atoms. As(1) is bonded in a distorted body-centered cubic geometry to three equivalent K(1), four equivalent K(2), and one Be(1) atom. is represented by the CIF card [CIF]
data_K4BeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.215
_cell_length_b   9.215
_cell_length_c   9.215
_cell_angle_alpha   35.923
_cell_angle_beta   35.923
_cell_angle_gamma   35.923
_symmetry_Int_Tables_number   1
_cell_volume   240.859
_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  0.624  0.624  0.624  1.0
  K  K1  1  0.376  0.376  0.376  1.0
  K  K2  1  0.209  0.209  0.209  1.0
  K  K3  1  0.791  0.791  0.791  1.0
  Be  Be4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.920  0.920  0.920  1.0
  As  As6  1  0.080  0.080  0.080  1.0
[/CIF]
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The crystal structure described by K4BeAs2 crystallizes in the trigonal R-3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and three equivalent As(1) atoms. In the second K site, K(2) is bonded to four equivalent As(1) atoms to form a mixture of corner and edge-sharing KAs4 tetrahedra. Be(1) is bonded in a linear geometry to six equivalent K(1) and two equivalent As(1) atoms. As(1) is bonded in a distorted body-centered cubic geometry to three equivalent K(1), four equivalent K(2), and one Be(1) atom. is represented by the CIF card [CIF]
data_K4BeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.215
_cell_length_b   9.215
_cell_length_c   9.215
_cell_angle_alpha   35.923
_cell_angle_beta   35.923
_cell_angle_gamma   35.923
_symmetry_Int_Tables_number   1
_cell_volume   240.859
_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  0.624  0.624  0.624  1.0
  K  K1  1  0.376  0.376  0.376  1.0
  K  K2  1  0.209  0.209  0.209  1.0
  K  K3  1  0.791  0.791  0.791  1.0
  Be  Be4  1  0.000  0.000  0.000  1.0
  As  As5  1  0.920  0.920  0.920  1.0
  As  As6  1  0.080  0.080  0.080  1.0
[/CIF]
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