The material structure described by KBa2Cd2Sb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent Cd(2), three equivalent Cd(1), one Sb(2), two equivalent Sb(3), and three equivalent Sb(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cd(1), two equivalent Cd(2), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to two equivalent K(1), one Ba(2), three equivalent Ba(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. In the second Cd site, Cd(2) is bonded in a 9-coordinate geometry to one K(1), two equivalent Ba(1), two equivalent Ba(2), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), one Cd(2), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent K(1), one Ba(1), two equivalent Ba(2), one Cd(1), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), two equivalent Ba(2), one Cd(1), and one Cd(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBa2Cd2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   13.363
_cell_length_c   17.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1145.719
_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  0.399  0.446  1.0
  K  K1  1  0.250  0.899  0.054  1.0
  K  K2  1  0.750  0.601  0.554  1.0
  K  K3  1  0.750  0.101  0.946  1.0
  Ba  Ba4  1  0.250  0.100  0.572  1.0
  Ba  Ba5  1  0.250  0.600  0.928  1.0
  Ba  Ba6  1  0.750  0.900  0.428  1.0
  Ba  Ba7  1  0.750  0.400  0.072  1.0
  Ba  Ba8  1  0.250  0.373  0.710  1.0
  Ba  Ba9  1  0.250  0.873  0.790  1.0
  Ba  Ba10  1  0.750  0.627  0.290  1.0
  Ba  Ba11  1  0.750  0.127  0.210  1.0
  Cd  Cd12  1  0.250  0.304  0.916  1.0
  Cd  Cd13  1  0.250  0.804  0.584  1.0
  Cd  Cd14  1  0.750  0.696  0.084  1.0
  Cd  Cd15  1  0.750  0.196  0.416  1.0
  Cd  Cd16  1  0.250  0.365  0.216  1.0
  Cd  Cd17  1  0.250  0.865  0.284  1.0
  Cd  Cd18  1  0.750  0.635  0.784  1.0
  Cd  Cd19  1  0.750  0.135  0.716  1.0
  Sb  Sb20  1  0.250  0.078  0.365  1.0
  Sb  Sb21  1  0.250  0.578  0.135  1.0
  Sb  Sb22  1  0.750  0.922  0.635  1.0
  Sb  Sb23  1  0.750  0.422  0.865  1.0
  Sb  Sb24  1  0.250  0.134  0.803  1.0
  Sb  Sb25  1  0.250  0.634  0.697  1.0
  Sb  Sb26  1  0.750  0.866  0.197  1.0
  Sb  Sb27  1  0.750  0.366  0.303  1.0
  Sb  Sb28  1  0.250  0.713  0.424  1.0
  Sb  Sb29  1  0.250  0.213  0.076  1.0
  Sb  Sb30  1  0.750  0.287  0.576  1.0
  Sb  Sb31  1  0.750  0.787  0.924  1.0
[/CIF]
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The material structure described by KBa2Cd2Sb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent Cd(2), three equivalent Cd(1), one Sb(2), two equivalent Sb(3), and three equivalent Sb(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cd(1), two equivalent Cd(2), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 10-coordinate geometry to two equivalent K(1), one Ba(2), three equivalent Ba(1), one Sb(2), one Sb(3), and two equivalent Sb(1) atoms. In the second Cd site, Cd(2) is bonded in a 9-coordinate geometry to one K(1), two equivalent Ba(1), two equivalent Ba(2), one Sb(1), one Sb(3), and two equivalent Sb(2) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), one Cd(2), and two equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent K(1), one Ba(1), two equivalent Ba(2), one Cd(1), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ba(1), two equivalent Ba(2), one Cd(1), and one Cd(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBa2Cd2Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.033
_cell_length_b   13.363
_cell_length_c   17.035
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1145.719
_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  0.399  0.446  1.0
  K  K1  1  0.250  0.899  0.054  1.0
  K  K2  1  0.750  0.601  0.554  1.0
  K  K3  1  0.750  0.101  0.946  1.0
  Ba  Ba4  1  0.250  0.100  0.572  1.0
  Ba  Ba5  1  0.250  0.600  0.928  1.0
  Ba  Ba6  1  0.750  0.900  0.428  1.0
  Ba  Ba7  1  0.750  0.400  0.072  1.0
  Ba  Ba8  1  0.250  0.373  0.710  1.0
  Ba  Ba9  1  0.250  0.873  0.790  1.0
  Ba  Ba10  1  0.750  0.627  0.290  1.0
  Ba  Ba11  1  0.750  0.127  0.210  1.0
  Cd  Cd12  1  0.250  0.304  0.916  1.0
  Cd  Cd13  1  0.250  0.804  0.584  1.0
  Cd  Cd14  1  0.750  0.696  0.084  1.0
  Cd  Cd15  1  0.750  0.196  0.416  1.0
  Cd  Cd16  1  0.250  0.365  0.216  1.0
  Cd  Cd17  1  0.250  0.865  0.284  1.0
  Cd  Cd18  1  0.750  0.635  0.784  1.0
  Cd  Cd19  1  0.750  0.135  0.716  1.0
  Sb  Sb20  1  0.250  0.078  0.365  1.0
  Sb  Sb21  1  0.250  0.578  0.135  1.0
  Sb  Sb22  1  0.750  0.922  0.635  1.0
  Sb  Sb23  1  0.750  0.422  0.865  1.0
  Sb  Sb24  1  0.250  0.134  0.803  1.0
  Sb  Sb25  1  0.250  0.634  0.697  1.0
  Sb  Sb26  1  0.750  0.866  0.197  1.0
  Sb  Sb27  1  0.750  0.366  0.303  1.0
  Sb  Sb28  1  0.250  0.713  0.424  1.0
  Sb  Sb29  1  0.250  0.213  0.076  1.0
  Sb  Sb30  1  0.750  0.287  0.576  1.0
  Sb  Sb31  1  0.750  0.787  0.924  1.0
[/CIF]
.