The compound described by (CeP(O2F)2)2N2 crystallizes in the monoclinic P2_1/m space group. The structure consists of two ammonia atoms inside a CeP(O2F)2 framework. In the CeP(O2F)2 framework, Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), and four equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePN(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   6.745
_cell_length_c   7.385
_cell_angle_alpha   113.193
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.791
_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  0.750  0.882  0.316  1.0
  Ce  Ce1  1  0.250  0.118  0.684  1.0
  P  P2  1  0.750  0.270  0.040  1.0
  P  P3  1  0.250  0.730  0.960  1.0
  N  N4  1  0.750  0.562  0.680  1.0
  N  N5  1  0.250  0.438  0.320  1.0
  O  O6  1  0.750  0.498  0.205  1.0
  O  O7  1  0.250  0.502  0.795  1.0
  O  O8  1  0.464  0.761  0.090  1.0
  O  O9  1  0.964  0.239  0.910  1.0
  O  O10  1  0.536  0.239  0.910  1.0
  O  O11  1  0.036  0.761  0.090  1.0
  O  O12  1  0.750  0.101  0.131  1.0
  O  O13  1  0.250  0.899  0.869  1.0
  F  F14  1  0.501  0.834  0.534  1.0
  F  F15  1  0.001  0.166  0.466  1.0
  F  F16  1  0.499  0.166  0.466  1.0
  F  F17  1  0.999  0.834  0.534  1.0
[/CIF]
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The compound described by (CeP(O2F)2)2N2 crystallizes in the monoclinic P2_1/m space group. The structure consists of two ammonia atoms inside a CeP(O2F)2 framework. In the CeP(O2F)2 framework, Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), and four equivalent F(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ce(1) and one P(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePN(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   6.745
_cell_length_c   7.385
_cell_angle_alpha   113.193
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.791
_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  0.750  0.882  0.316  1.0
  Ce  Ce1  1  0.250  0.118  0.684  1.0
  P  P2  1  0.750  0.270  0.040  1.0
  P  P3  1  0.250  0.730  0.960  1.0
  N  N4  1  0.750  0.562  0.680  1.0
  N  N5  1  0.250  0.438  0.320  1.0
  O  O6  1  0.750  0.498  0.205  1.0
  O  O7  1  0.250  0.502  0.795  1.0
  O  O8  1  0.464  0.761  0.090  1.0
  O  O9  1  0.964  0.239  0.910  1.0
  O  O10  1  0.536  0.239  0.910  1.0
  O  O11  1  0.036  0.761  0.090  1.0
  O  O12  1  0.750  0.101  0.131  1.0
  O  O13  1  0.250  0.899  0.869  1.0
  F  F14  1  0.501  0.834  0.534  1.0
  F  F15  1  0.001  0.166  0.466  1.0
  F  F16  1  0.499  0.166  0.466  1.0
  F  F17  1  0.999  0.834  0.534  1.0
[/CIF]
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