The crystal structure described by CeZrF7 crystallizes in the monoclinic P2_1 space group. Ce(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), one F(7), and two equivalent F(5) atoms. Zr(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Ce(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Ce(1) and one Zr(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Ce(1) and one Zr(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. is represented by the CIF file [CIF]
data_CeZrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   6.276
_cell_length_c   8.480
_cell_angle_alpha   77.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.287
_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  0.243  0.842  0.188  1.0
  Ce  Ce1  1  0.743  0.158  0.812  1.0
  Zr  Zr2  1  0.752  0.311  0.276  1.0
  Zr  Zr3  1  0.252  0.689  0.724  1.0
  F  F4  1  0.473  0.442  0.728  1.0
  F  F5  1  0.037  0.942  0.711  1.0
  F  F6  1  0.002  0.463  0.741  1.0
  F  F7  1  0.030  0.118  0.285  1.0
  F  F8  1  0.973  0.558  0.272  1.0
  F  F9  1  0.425  0.056  0.974  1.0
  F  F10  1  0.925  0.944  0.026  1.0
  F  F11  1  0.245  0.742  0.482  1.0
  F  F12  1  0.530  0.882  0.715  1.0
  F  F13  1  0.537  0.058  0.289  1.0
  F  F14  1  0.502  0.537  0.259  1.0
  F  F15  1  0.745  0.258  0.518  1.0
  F  F16  1  0.754  0.360  0.033  1.0
  F  F17  1  0.254  0.640  0.967  1.0
[/CIF]
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The crystal structure described by CeZrF7 crystallizes in the monoclinic P2_1 space group. Ce(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), one F(7), and two equivalent F(5) atoms. Zr(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Ce(1) and one Zr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. In the third F site, F(3) is bonded in a linear geometry to one Ce(1) and one Zr(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Ce(1) and one Zr(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one Zr(1) atom. is represented by the CIF file [CIF]
data_CeZrF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.873
_cell_length_b   6.276
_cell_length_c   8.480
_cell_angle_alpha   77.599
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.287
_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  0.243  0.842  0.188  1.0
  Ce  Ce1  1  0.743  0.158  0.812  1.0
  Zr  Zr2  1  0.752  0.311  0.276  1.0
  Zr  Zr3  1  0.252  0.689  0.724  1.0
  F  F4  1  0.473  0.442  0.728  1.0
  F  F5  1  0.037  0.942  0.711  1.0
  F  F6  1  0.002  0.463  0.741  1.0
  F  F7  1  0.030  0.118  0.285  1.0
  F  F8  1  0.973  0.558  0.272  1.0
  F  F9  1  0.425  0.056  0.974  1.0
  F  F10  1  0.925  0.944  0.026  1.0
  F  F11  1  0.245  0.742  0.482  1.0
  F  F12  1  0.530  0.882  0.715  1.0
  F  F13  1  0.537  0.058  0.289  1.0
  F  F14  1  0.502  0.537  0.259  1.0
  F  F15  1  0.745  0.258  0.518  1.0
  F  F16  1  0.754  0.360  0.033  1.0
  F  F17  1  0.254  0.640  0.967  1.0
[/CIF]
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