The compound described by CeHf2F11 crystallizes in the monoclinic C2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(10), two equivalent F(12), and two equivalent F(3) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent F(11), two equivalent F(2), two equivalent F(4), and two equivalent F(9) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one F(1), one F(10), one F(2), one F(5), one F(7), one F(8), and one F(9) atom to form distorted corner-sharing HfF7 pentagonal bipyramids. In the second Hf site, Hf(2) is bonded to one F(11), one F(12), one F(3), one F(4), one F(6), one F(7), and one F(8) atom to form distorted corner-sharing HfF7 pentagonal bipyramids. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Hf(2) atoms. In the seventh F site, F(7) is bonded in a linear geometry to one Hf(1) and one Hf(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Hf(1) and one Hf(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(1) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(1) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(2) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(2) atom. is represented by the CIF file [CIF]
data_CeHf2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.373
_cell_length_b   8.373
_cell_length_c   8.373
_cell_angle_alpha   125.179
_cell_angle_beta   106.553
_cell_angle_gamma   97.984
_symmetry_Int_Tables_number   1
_cell_volume   424.077
_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
  Ce  Ce0  1  0.749  0.249  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.680  0.632  0.312  1.0
  Hf  Hf3  1  0.320  0.368  0.688  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  0.702  0.891  0.339  1.0
  F  F7  1  0.297  0.110  0.662  1.0
  F  F8  1  0.552  0.364  0.661  1.0
  F  F9  1  0.948  0.610  0.813  1.0
  F  F10  1  0.448  0.636  0.338  1.0
  F  F11  1  0.052  0.391  0.189  1.0
  F  F12  1  0.797  0.135  0.187  1.0
  F  F13  1  0.202  0.863  0.811  1.0
  F  F14  1  0.500  0.500  0.000  1.0
  F  F15  1  0.001  0.001  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  0.948  0.740  0.414  1.0
  F  F21  1  0.052  0.262  0.586  1.0
  F  F22  1  0.326  0.534  0.586  1.0
  F  F23  1  0.174  0.760  0.208  1.0
  F  F24  1  0.675  0.466  0.414  1.0
  F  F25  1  0.827  0.240  0.792  1.0
  F  F26  1  0.552  0.966  0.792  1.0
  F  F27  1  0.448  0.035  0.208  1.0
[/CIF]
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The compound described by CeHf2F11 crystallizes in the monoclinic C2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(10), two equivalent F(12), and two equivalent F(3) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent F(11), two equivalent F(2), two equivalent F(4), and two equivalent F(9) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one F(1), one F(10), one F(2), one F(5), one F(7), one F(8), and one F(9) atom to form distorted corner-sharing HfF7 pentagonal bipyramids. In the second Hf site, Hf(2) is bonded to one F(11), one F(12), one F(3), one F(4), one F(6), one F(7), and one F(8) atom to form distorted corner-sharing HfF7 pentagonal bipyramids. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Hf(2) atoms. In the seventh F site, F(7) is bonded in a linear geometry to one Hf(1) and one Hf(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Hf(1) and one Hf(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(1) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(1) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Ce(2) and one Hf(2) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Ce(1) and one Hf(2) atom. is represented by the CIF file [CIF]
data_CeHf2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.373
_cell_length_b   8.373
_cell_length_c   8.373
_cell_angle_alpha   125.179
_cell_angle_beta   106.553
_cell_angle_gamma   97.984
_symmetry_Int_Tables_number   1
_cell_volume   424.077
_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
  Ce  Ce0  1  0.749  0.249  0.500  1.0
  Ce  Ce1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.680  0.632  0.312  1.0
  Hf  Hf3  1  0.320  0.368  0.688  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  0.702  0.891  0.339  1.0
  F  F7  1  0.297  0.110  0.662  1.0
  F  F8  1  0.552  0.364  0.661  1.0
  F  F9  1  0.948  0.610  0.813  1.0
  F  F10  1  0.448  0.636  0.338  1.0
  F  F11  1  0.052  0.391  0.189  1.0
  F  F12  1  0.797  0.135  0.187  1.0
  F  F13  1  0.202  0.863  0.811  1.0
  F  F14  1  0.500  0.500  0.000  1.0
  F  F15  1  0.001  0.001  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  0.948  0.740  0.414  1.0
  F  F21  1  0.052  0.262  0.586  1.0
  F  F22  1  0.326  0.534  0.586  1.0
  F  F23  1  0.174  0.760  0.208  1.0
  F  F24  1  0.675  0.466  0.414  1.0
  F  F25  1  0.827  0.240  0.792  1.0
  F  F26  1  0.552  0.966  0.792  1.0
  F  F27  1  0.448  0.035  0.208  1.0
[/CIF]
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