The material described by PrHf2F11 crystallizes in the orthorhombic Ibam space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(4) atoms. Hf(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted corner-sharing HfF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Pr(1) and one Hf(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Pr(1) and one Hf(1) atom. is represented by the CIF card [CIF]
data_PrHf2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.363
_cell_length_b   8.363
_cell_length_c   8.363
_cell_angle_alpha   125.155
_cell_angle_beta   106.553
_cell_angle_gamma   98.008
_symmetry_Int_Tables_number   1
_cell_volume   422.724
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.680  0.632  0.313  1.0
  Hf  Hf3  1  0.320  0.368  0.687  1.0
  Hf  Hf4  1  0.180  0.868  0.048  1.0
  Hf  Hf5  1  0.820  0.132  0.952  1.0
  F  F6  1  0.705  0.891  0.339  1.0
  F  F7  1  0.295  0.109  0.661  1.0
  F  F8  1  0.552  0.366  0.661  1.0
  F  F9  1  0.948  0.609  0.814  1.0
  F  F10  1  0.448  0.634  0.339  1.0
  F  F11  1  0.052  0.391  0.186  1.0
  F  F12  1  0.795  0.134  0.186  1.0
  F  F13  1  0.205  0.866  0.814  1.0
  F  F14  1  0.500  0.500  0.000  1.0
  F  F15  1  0.000  1.000  0.000  1.0
  F  F16  1  0.780  0.869  0.649  1.0
  F  F17  1  0.220  0.131  0.351  1.0
  F  F18  1  0.280  0.631  0.911  1.0
  F  F19  1  0.720  0.369  0.089  1.0
  F  F20  1  0.949  0.738  0.416  1.0
  F  F21  1  0.051  0.262  0.584  1.0
  F  F22  1  0.322  0.533  0.584  1.0
  F  F23  1  0.178  0.762  0.211  1.0
  F  F24  1  0.678  0.467  0.416  1.0
  F  F25  1  0.822  0.238  0.789  1.0
  F  F26  1  0.551  0.967  0.789  1.0
  F  F27  1  0.449  0.033  0.211  1.0
[/CIF]
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The material described by PrHf2F11 crystallizes in the orthorhombic Ibam space group. Pr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(4) atoms. Hf(1) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted corner-sharing HfF7 pentagonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Pr(1) and one Hf(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Pr(1) and one Hf(1) atom. is represented by the CIF card [CIF]
data_PrHf2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.363
_cell_length_b   8.363
_cell_length_c   8.363
_cell_angle_alpha   125.155
_cell_angle_beta   106.553
_cell_angle_gamma   98.008
_symmetry_Int_Tables_number   1
_cell_volume   422.724
_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
  Pr  Pr0  1  0.750  0.250  0.500  1.0
  Pr  Pr1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.680  0.632  0.313  1.0
  Hf  Hf3  1  0.320  0.368  0.687  1.0
  Hf  Hf4  1  0.180  0.868  0.048  1.0
  Hf  Hf5  1  0.820  0.132  0.952  1.0
  F  F6  1  0.705  0.891  0.339  1.0
  F  F7  1  0.295  0.109  0.661  1.0
  F  F8  1  0.552  0.366  0.661  1.0
  F  F9  1  0.948  0.609  0.814  1.0
  F  F10  1  0.448  0.634  0.339  1.0
  F  F11  1  0.052  0.391  0.186  1.0
  F  F12  1  0.795  0.134  0.186  1.0
  F  F13  1  0.205  0.866  0.814  1.0
  F  F14  1  0.500  0.500  0.000  1.0
  F  F15  1  0.000  1.000  0.000  1.0
  F  F16  1  0.780  0.869  0.649  1.0
  F  F17  1  0.220  0.131  0.351  1.0
  F  F18  1  0.280  0.631  0.911  1.0
  F  F19  1  0.720  0.369  0.089  1.0
  F  F20  1  0.949  0.738  0.416  1.0
  F  F21  1  0.051  0.262  0.584  1.0
  F  F22  1  0.322  0.533  0.584  1.0
  F  F23  1  0.178  0.762  0.211  1.0
  F  F24  1  0.678  0.467  0.416  1.0
  F  F25  1  0.822  0.238  0.789  1.0
  F  F26  1  0.551  0.967  0.789  1.0
  F  F27  1  0.449  0.033  0.211  1.0
[/CIF]
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