The material described by Cs4Mn2PdF12 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to two equivalent F(3), two equivalent F(4), four equivalent F(1), and four equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with four equivalent Mn(1)F6 octahedra. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the third F site, F(4) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the fourth F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Mn(1), and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs4Mn2PdF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   11.652
_cell_angle_alpha   112.021
_cell_angle_beta   112.021
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.182
_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
  Cs  Cs0  1  0.125  0.633  0.750  1.0
  Cs  Cs1  1  0.125  0.117  0.750  1.0
  Cs  Cs2  1  0.883  0.875  0.250  1.0
  Cs  Cs3  1  0.883  0.375  0.250  1.0
  Cs  Cs4  1  0.625  0.633  0.750  1.0
  Cs  Cs5  1  0.625  0.117  0.750  1.0
  Cs  Cs6  1  0.367  0.875  0.250  1.0
  Cs  Cs7  1  0.367  0.375  0.250  1.0
  Mn  Mn8  1  0.253  0.253  0.505  1.0
  Mn  Mn9  1  0.503  0.003  0.005  1.0
  Mn  Mn10  1  0.997  0.497  0.995  1.0
  Mn  Mn11  1  0.747  0.747  0.495  1.0
  Pd  Pd12  1  0.750  0.250  0.500  1.0
  Pd  Pd13  1  0.500  0.500  0.000  1.0
  F  F14  1  0.983  0.251  0.501  1.0
  F  F15  1  0.501  0.733  0.001  1.0
  F  F16  1  0.501  0.269  0.001  1.0
  F  F17  1  0.519  0.251  0.501  1.0
  F  F18  1  0.267  0.499  0.999  1.0
  F  F19  1  0.749  0.017  0.499  1.0
  F  F20  1  0.749  0.481  0.499  1.0
  F  F21  1  0.731  0.499  0.999  1.0
  F  F22  1  0.960  0.747  0.494  1.0
  F  F23  1  0.997  0.710  0.994  1.0
  F  F24  1  0.997  0.284  0.994  1.0
  F  F25  1  0.534  0.747  0.494  1.0
  F  F26  1  0.290  0.003  0.006  1.0
  F  F27  1  0.253  0.040  0.506  1.0
  F  F28  1  0.253  0.466  0.506  1.0
  F  F29  1  0.716  0.003  0.006  1.0
  F  F30  1  0.348  0.348  0.695  1.0
  F  F31  1  0.598  0.098  0.195  1.0
  F  F32  1  0.902  0.402  0.805  1.0
  F  F33  1  0.652  0.652  0.305  1.0
  F  F34  1  0.157  0.157  0.315  1.0
  F  F35  1  0.407  0.907  0.815  1.0
  F  F36  1  0.093  0.593  0.185  1.0
  F  F37  1  0.843  0.843  0.685  1.0
[/CIF]
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The material described by Cs4Mn2PdF12 crystallizes in the tetragonal I4_1/amd space group. Cs(1) is bonded to two equivalent F(3), two equivalent F(4), four equivalent F(1), and four equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with four equivalent Mn(1)F6 octahedra. Mn(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form MnF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the third F site, F(4) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. In the fourth F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Mn(1), and one Pd(1) atom. is represented by the CIF file [CIF]
data_Cs4Mn2PdF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.738
_cell_length_b   8.738
_cell_length_c   11.652
_cell_angle_alpha   112.021
_cell_angle_beta   112.021
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   754.182
_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
  Cs  Cs0  1  0.125  0.633  0.750  1.0
  Cs  Cs1  1  0.125  0.117  0.750  1.0
  Cs  Cs2  1  0.883  0.875  0.250  1.0
  Cs  Cs3  1  0.883  0.375  0.250  1.0
  Cs  Cs4  1  0.625  0.633  0.750  1.0
  Cs  Cs5  1  0.625  0.117  0.750  1.0
  Cs  Cs6  1  0.367  0.875  0.250  1.0
  Cs  Cs7  1  0.367  0.375  0.250  1.0
  Mn  Mn8  1  0.253  0.253  0.505  1.0
  Mn  Mn9  1  0.503  0.003  0.005  1.0
  Mn  Mn10  1  0.997  0.497  0.995  1.0
  Mn  Mn11  1  0.747  0.747  0.495  1.0
  Pd  Pd12  1  0.750  0.250  0.500  1.0
  Pd  Pd13  1  0.500  0.500  0.000  1.0
  F  F14  1  0.983  0.251  0.501  1.0
  F  F15  1  0.501  0.733  0.001  1.0
  F  F16  1  0.501  0.269  0.001  1.0
  F  F17  1  0.519  0.251  0.501  1.0
  F  F18  1  0.267  0.499  0.999  1.0
  F  F19  1  0.749  0.017  0.499  1.0
  F  F20  1  0.749  0.481  0.499  1.0
  F  F21  1  0.731  0.499  0.999  1.0
  F  F22  1  0.960  0.747  0.494  1.0
  F  F23  1  0.997  0.710  0.994  1.0
  F  F24  1  0.997  0.284  0.994  1.0
  F  F25  1  0.534  0.747  0.494  1.0
  F  F26  1  0.290  0.003  0.006  1.0
  F  F27  1  0.253  0.040  0.506  1.0
  F  F28  1  0.253  0.466  0.506  1.0
  F  F29  1  0.716  0.003  0.006  1.0
  F  F30  1  0.348  0.348  0.695  1.0
  F  F31  1  0.598  0.098  0.195  1.0
  F  F32  1  0.902  0.402  0.805  1.0
  F  F33  1  0.652  0.652  0.305  1.0
  F  F34  1  0.157  0.157  0.315  1.0
  F  F35  1  0.407  0.907  0.815  1.0
  F  F36  1  0.093  0.593  0.185  1.0
  F  F37  1  0.843  0.843  0.685  1.0
[/CIF]
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