The material structure described by K2PdBr3Cl crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent Br(1), four equivalent Br(2), and two equivalent Cl(1) atoms. Pd(1) is bonded in a square co-planar geometry to one Br(1), two equivalent Br(2), and one Cl(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent K(1) and one Pd(1) atom to form BrK4Pd square pyramids that share corners with five equivalent Cl(1)K4Pd square pyramids, corners with eight equivalent Br(2)K4Pd square pyramids, edges with two equivalent Br(1)K4Pd square pyramids, edges with two equivalent Br(2)K4Pd square pyramids, edges with two equivalent Cl(1)K4Pd square pyramids, and faces with two equivalent Br(2)K4Pd square pyramids. In the second Br site, Br(2) is bonded to four equivalent K(1) and one Pd(1) atom to form BrK4Pd square pyramids that share corners with four equivalent Br(1)K4Pd square pyramids, corners with four equivalent Cl(1)K4Pd square pyramids, corners with five equivalent Br(2)K4Pd square pyramids,  an edgeedge with one Br(1)K4Pd square pyramid,  an edgeedge with one Cl(1)K4Pd square pyramid, edges with four equivalent Br(2)K4Pd square pyramids,  a faceface with one Br(1)K4Pd square pyramid, and  a faceface with one Cl(1)K4Pd square pyramid. Cl(1) is bonded to four equivalent K(1) and one Pd(1) atom to form ClK4Pd square pyramids that share corners with five equivalent Br(1)K4Pd square pyramids, corners with eight equivalent Br(2)K4Pd square pyramids, edges with two equivalent Br(1)K4Pd square pyramids, edges with two equivalent Br(2)K4Pd square pyramids, edges with two equivalent Cl(1)K4Pd square pyramids, and faces with two equivalent Br(2)K4Pd square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PdBr3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   4.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.263
_symmetry_Int_Tables_number   1
_cell_volume   243.098
_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  0.505  0.005  0.500  1.0
  K  K1  1  0.995  0.495  0.500  1.0
  Pd  Pd2  1  0.998  0.002  0.000  1.0
  Br  Br3  1  0.230  0.770  0.000  1.0
  Br  Br4  1  0.233  0.236  0.000  1.0
  Br  Br5  1  0.764  0.767  0.000  1.0
  Cl  Cl6  1  0.775  0.225  0.000  1.0
[/CIF]
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The material structure described by K2PdBr3Cl crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent Br(1), four equivalent Br(2), and two equivalent Cl(1) atoms. Pd(1) is bonded in a square co-planar geometry to one Br(1), two equivalent Br(2), and one Cl(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent K(1) and one Pd(1) atom to form BrK4Pd square pyramids that share corners with five equivalent Cl(1)K4Pd square pyramids, corners with eight equivalent Br(2)K4Pd square pyramids, edges with two equivalent Br(1)K4Pd square pyramids, edges with two equivalent Br(2)K4Pd square pyramids, edges with two equivalent Cl(1)K4Pd square pyramids, and faces with two equivalent Br(2)K4Pd square pyramids. In the second Br site, Br(2) is bonded to four equivalent K(1) and one Pd(1) atom to form BrK4Pd square pyramids that share corners with four equivalent Br(1)K4Pd square pyramids, corners with four equivalent Cl(1)K4Pd square pyramids, corners with five equivalent Br(2)K4Pd square pyramids,  an edgeedge with one Br(1)K4Pd square pyramid,  an edgeedge with one Cl(1)K4Pd square pyramid, edges with four equivalent Br(2)K4Pd square pyramids,  a faceface with one Br(1)K4Pd square pyramid, and  a faceface with one Cl(1)K4Pd square pyramid. Cl(1) is bonded to four equivalent K(1) and one Pd(1) atom to form ClK4Pd square pyramids that share corners with five equivalent Br(1)K4Pd square pyramids, corners with eight equivalent Br(2)K4Pd square pyramids, edges with two equivalent Br(1)K4Pd square pyramids, edges with two equivalent Br(2)K4Pd square pyramids, edges with two equivalent Cl(1)K4Pd square pyramids, and faces with two equivalent Br(2)K4Pd square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2PdBr3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   4.377
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.263
_symmetry_Int_Tables_number   1
_cell_volume   243.098
_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  0.505  0.005  0.500  1.0
  K  K1  1  0.995  0.495  0.500  1.0
  Pd  Pd2  1  0.998  0.002  0.000  1.0
  Br  Br3  1  0.230  0.770  0.000  1.0
  Br  Br4  1  0.233  0.236  0.000  1.0
  Br  Br5  1  0.764  0.767  0.000  1.0
  Cl  Cl6  1  0.775  0.225  0.000  1.0
[/CIF]
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