The material described by Mn(CuCl2)2 crystallizes in the orthorhombic Amm2 space group. Mn(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing MnCl6 octahedra. Cu(1) is bonded in a trigonal planar geometry to one Cl(2) and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded to two equivalent Mn(1) and two equivalent Cu(1) atoms to form corner-sharing ClMn2Cu2 tetrahedra. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn(CuCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   3.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.577
_symmetry_Int_Tables_number   1
_cell_volume   152.778
_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
  Mn  Mn0  1  0.222  0.222  0.000  1.0
  Cu  Cu1  1  0.838  0.496  0.500  1.0
  Cu  Cu2  1  0.496  0.838  0.500  1.0
  Cl  Cl3  1  0.018  0.494  0.000  1.0
  Cl  Cl4  1  0.484  0.484  0.500  1.0
  Cl  Cl5  1  0.018  0.018  0.500  1.0
  Cl  Cl6  1  0.494  0.018  0.000  1.0
[/CIF]
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The material described by Mn(CuCl2)2 crystallizes in the orthorhombic Amm2 space group. Mn(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing MnCl6 octahedra. Cu(1) is bonded in a trigonal planar geometry to one Cl(2) and two equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded to two equivalent Mn(1) and two equivalent Cu(1) atoms to form corner-sharing ClMn2Cu2 tetrahedra. In the third Cl site, Cl(3) is bonded in a water-like geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn(CuCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   3.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.577
_symmetry_Int_Tables_number   1
_cell_volume   152.778
_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
  Mn  Mn0  1  0.222  0.222  0.000  1.0
  Cu  Cu1  1  0.838  0.496  0.500  1.0
  Cu  Cu2  1  0.496  0.838  0.500  1.0
  Cl  Cl3  1  0.018  0.494  0.000  1.0
  Cl  Cl4  1  0.484  0.484  0.500  1.0
  Cl  Cl5  1  0.018  0.018  0.500  1.0
  Cl  Cl6  1  0.494  0.018  0.000  1.0
[/CIF]
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