The material described by K2BaCdSb2 crystallizes in the orthorhombic Pmc2_1 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 Cd(1), one Sb(2), and two equivalent Sb(1) atoms. In the second K site, K(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Ba(1) is bonded in a 7-coordinate geometry to four equivalent Cd(1), one Sb(1), and four equivalent Sb(2) atoms. Cd(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent K(2), four equivalent Ba(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ba(1), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one K(1), two equivalent K(2), four equivalent Ba(1), and two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_K2BaCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   8.648
_cell_length_c   10.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.741
_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  0.500  0.020  0.422  1.0
  K  K1  1  0.000  0.345  0.339  1.0
  K  K2  1  0.500  0.520  0.578  1.0
  K  K3  1  0.000  0.845  0.661  1.0
  Ba  Ba4  1  0.000  0.999  0.050  1.0
  Ba  Ba5  1  0.000  0.499  0.950  1.0
  Cd  Cd6  1  0.500  0.154  0.823  1.0
  Cd  Cd7  1  0.500  0.654  0.177  1.0
  Sb  Sb8  1  0.000  0.239  0.681  1.0
  Sb  Sb9  1  0.500  0.288  0.113  1.0
  Sb  Sb10  1  0.000  0.739  0.319  1.0
  Sb  Sb11  1  0.500  0.788  0.887  1.0
[/CIF]
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The material described by K2BaCdSb2 crystallizes in the orthorhombic Pmc2_1 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 Cd(1), one Sb(2), and two equivalent Sb(1) atoms. In the second K site, K(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cd(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. Ba(1) is bonded in a 7-coordinate geometry to four equivalent Cd(1), one Sb(1), and four equivalent Sb(2) atoms. Cd(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent K(2), four equivalent Ba(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), one Ba(1), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one K(1), two equivalent K(2), four equivalent Ba(1), and two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_K2BaCdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.105
_cell_length_b   8.648
_cell_length_c   10.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   441.741
_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  0.500  0.020  0.422  1.0
  K  K1  1  0.000  0.345  0.339  1.0
  K  K2  1  0.500  0.520  0.578  1.0
  K  K3  1  0.000  0.845  0.661  1.0
  Ba  Ba4  1  0.000  0.999  0.050  1.0
  Ba  Ba5  1  0.000  0.499  0.950  1.0
  Cd  Cd6  1  0.500  0.154  0.823  1.0
  Cd  Cd7  1  0.500  0.654  0.177  1.0
  Sb  Sb8  1  0.000  0.239  0.681  1.0
  Sb  Sb9  1  0.500  0.288  0.113  1.0
  Sb  Sb10  1  0.000  0.739  0.319  1.0
  Sb  Sb11  1  0.500  0.788  0.887  1.0
[/CIF]
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