The crystal structure described by K2CuCl3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and three equivalent Cl(3) atoms. Cu(1) is bonded to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form corner-sharing CuCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Cu(1) atoms to form distorted ClK4Cu2 octahedra that share corners with two equivalent Cl(1)K4Cu2 octahedra, corners with two equivalent Cl(2)K5Cu octahedra, corners with five equivalent Cl(3)K5Cu octahedra, edges with two equivalent Cl(1)K4Cu2 octahedra, edges with two equivalent Cl(3)K5Cu octahedra, edges with five equivalent Cl(2)K5Cu octahedra, and  a faceface with one Cl(3)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-61°. In the second Cl site, Cl(2) is bonded to two equivalent K(2), three equivalent K(1), and one Cu(1) atom to form distorted ClK5Cu octahedra that share corners with two equivalent Cl(1)K4Cu2 octahedra, corners with eight equivalent Cl(3)K5Cu octahedra,  an edgeedge with one Cl(3)K5Cu octahedra, edges with four equivalent Cl(2)K5Cu octahedra, edges with five equivalent Cl(1)K4Cu2 octahedra, and  a faceface with one Cl(3)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the third Cl site, Cl(3) is bonded to two equivalent K(1), three equivalent K(2), and one Cu(1) atom to form distorted ClK5Cu octahedra that share corners with five equivalent Cl(1)K4Cu2 octahedra, corners with eight equivalent Cl(2)K5Cu octahedra,  an edgeedge with one Cl(2)K5Cu octahedra, edges with two equivalent Cl(1)K4Cu2 octahedra, edges with four equivalent Cl(3)K5Cu octahedra,  a faceface with one Cl(1)K4Cu2 octahedra, and  a faceface with one Cl(2)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 26-61°. is represented by the CIF file [CIF]
data_K2CuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   11.994
_cell_length_c   12.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.912
_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  0.750  0.674  0.019  1.0
  K  K1  1  0.250  0.487  0.325  1.0
  K  K2  1  0.750  0.174  0.481  1.0
  K  K3  1  0.750  0.513  0.675  1.0
  K  K4  1  0.250  0.826  0.519  1.0
  K  K5  1  0.250  0.987  0.175  1.0
  K  K6  1  0.250  0.326  0.981  1.0
  K  K7  1  0.750  0.013  0.825  1.0
  Cu  Cu8  1  0.750  0.755  0.303  1.0
  Cu  Cu9  1  0.250  0.745  0.803  1.0
  Cu  Cu10  1  0.250  0.245  0.697  1.0
  Cu  Cu11  1  0.750  0.255  0.197  1.0
  Cl  Cl12  1  0.250  0.224  0.288  1.0
  Cl  Cl13  1  0.250  0.724  0.212  1.0
  Cl  Cl14  1  0.750  0.276  0.788  1.0
  Cl  Cl15  1  0.750  0.776  0.712  1.0
  Cl  Cl16  1  0.250  0.561  0.860  1.0
  Cl  Cl17  1  0.750  0.439  0.140  1.0
  Cl  Cl18  1  0.250  0.865  0.948  1.0
  Cl  Cl19  1  0.750  0.635  0.448  1.0
  Cl  Cl20  1  0.750  0.135  0.052  1.0
  Cl  Cl21  1  0.250  0.061  0.640  1.0
  Cl  Cl22  1  0.250  0.365  0.552  1.0
  Cl  Cl23  1  0.750  0.939  0.360  1.0
[/CIF]
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The crystal structure described by K2CuCl3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and three equivalent Cl(3) atoms. Cu(1) is bonded to one Cl(2), one Cl(3), and two equivalent Cl(1) atoms to form corner-sharing CuCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Cu(1) atoms to form distorted ClK4Cu2 octahedra that share corners with two equivalent Cl(1)K4Cu2 octahedra, corners with two equivalent Cl(2)K5Cu octahedra, corners with five equivalent Cl(3)K5Cu octahedra, edges with two equivalent Cl(1)K4Cu2 octahedra, edges with two equivalent Cl(3)K5Cu octahedra, edges with five equivalent Cl(2)K5Cu octahedra, and  a faceface with one Cl(3)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-61°. In the second Cl site, Cl(2) is bonded to two equivalent K(2), three equivalent K(1), and one Cu(1) atom to form distorted ClK5Cu octahedra that share corners with two equivalent Cl(1)K4Cu2 octahedra, corners with eight equivalent Cl(3)K5Cu octahedra,  an edgeedge with one Cl(3)K5Cu octahedra, edges with four equivalent Cl(2)K5Cu octahedra, edges with five equivalent Cl(1)K4Cu2 octahedra, and  a faceface with one Cl(3)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the third Cl site, Cl(3) is bonded to two equivalent K(1), three equivalent K(2), and one Cu(1) atom to form distorted ClK5Cu octahedra that share corners with five equivalent Cl(1)K4Cu2 octahedra, corners with eight equivalent Cl(2)K5Cu octahedra,  an edgeedge with one Cl(2)K5Cu octahedra, edges with two equivalent Cl(1)K4Cu2 octahedra, edges with four equivalent Cl(3)K5Cu octahedra,  a faceface with one Cl(1)K4Cu2 octahedra, and  a faceface with one Cl(2)K5Cu octahedra. The corner-sharing octahedral tilt angles range from 26-61°. is represented by the CIF file [CIF]
data_K2CuCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   11.994
_cell_length_c   12.543
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   615.912
_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  0.750  0.674  0.019  1.0
  K  K1  1  0.250  0.487  0.325  1.0
  K  K2  1  0.750  0.174  0.481  1.0
  K  K3  1  0.750  0.513  0.675  1.0
  K  K4  1  0.250  0.826  0.519  1.0
  K  K5  1  0.250  0.987  0.175  1.0
  K  K6  1  0.250  0.326  0.981  1.0
  K  K7  1  0.750  0.013  0.825  1.0
  Cu  Cu8  1  0.750  0.755  0.303  1.0
  Cu  Cu9  1  0.250  0.745  0.803  1.0
  Cu  Cu10  1  0.250  0.245  0.697  1.0
  Cu  Cu11  1  0.750  0.255  0.197  1.0
  Cl  Cl12  1  0.250  0.224  0.288  1.0
  Cl  Cl13  1  0.250  0.724  0.212  1.0
  Cl  Cl14  1  0.750  0.276  0.788  1.0
  Cl  Cl15  1  0.750  0.776  0.712  1.0
  Cl  Cl16  1  0.250  0.561  0.860  1.0
  Cl  Cl17  1  0.750  0.439  0.140  1.0
  Cl  Cl18  1  0.250  0.865  0.948  1.0
  Cl  Cl19  1  0.750  0.635  0.448  1.0
  Cl  Cl20  1  0.750  0.135  0.052  1.0
  Cl  Cl21  1  0.250  0.061  0.640  1.0
  Cl  Cl22  1  0.250  0.365  0.552  1.0
  Cl  Cl23  1  0.750  0.939  0.360  1.0
[/CIF]
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