The crystal structure described by K3BAs2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to two equivalent B(1) and two equivalent As(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent As(1) atoms. B(1) is bonded in a 7-coordinate geometry to one K(2), four equivalent K(1), and two equivalent As(1) atoms. As(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.719
_cell_length_c   9.154
_cell_angle_alpha   74.939
_cell_angle_beta   74.939
_cell_angle_gamma   86.141
_symmetry_Int_Tables_number   1
_cell_volume   385.368
_cell_formula_units_Z   2
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  0.251  0.145  0.020  1.0
  K  K1  1  0.145  0.251  0.520  1.0
  K  K2  1  0.643  0.357  0.250  1.0
  K  K3  1  0.357  0.643  0.750  1.0
  K  K4  1  0.855  0.749  0.480  1.0
  K  K5  1  0.749  0.855  0.980  1.0
  B  B6  1  0.716  0.284  0.750  1.0
  B  B7  1  0.284  0.716  0.250  1.0
  As  As8  1  0.586  0.143  0.647  1.0
  As  As9  1  0.857  0.414  0.853  1.0
  As  As10  1  0.143  0.586  0.147  1.0
  As  As11  1  0.414  0.857  0.353  1.0
[/CIF]
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The crystal structure described by K3BAs2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to two equivalent B(1) and two equivalent As(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent As(1) atoms. B(1) is bonded in a 7-coordinate geometry to one K(2), four equivalent K(1), and two equivalent As(1) atoms. As(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3BAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.719
_cell_length_c   9.154
_cell_angle_alpha   74.939
_cell_angle_beta   74.939
_cell_angle_gamma   86.141
_symmetry_Int_Tables_number   1
_cell_volume   385.368
_cell_formula_units_Z   2
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  0.251  0.145  0.020  1.0
  K  K1  1  0.145  0.251  0.520  1.0
  K  K2  1  0.643  0.357  0.250  1.0
  K  K3  1  0.357  0.643  0.750  1.0
  K  K4  1  0.855  0.749  0.480  1.0
  K  K5  1  0.749  0.855  0.980  1.0
  B  B6  1  0.716  0.284  0.750  1.0
  B  B7  1  0.284  0.716  0.250  1.0
  As  As8  1  0.586  0.143  0.647  1.0
  As  As9  1  0.857  0.414  0.853  1.0
  As  As10  1  0.143  0.586  0.147  1.0
  As  As11  1  0.414  0.857  0.353  1.0
[/CIF]
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