The material structure described by Cs2PaF7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(4), three equivalent F(2), and three equivalent F(3) atoms. Pa(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Pa(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Pa(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Pa(1) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one Pa(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.092
_cell_length_b   8.092
_cell_length_c   8.265
_cell_angle_alpha   61.164
_cell_angle_beta   61.164
_cell_angle_gamma   53.579
_symmetry_Int_Tables_number   1
_cell_volume   366.495
_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  0.842  0.817  0.619  1.0
  Cs  Cs1  1  0.183  0.158  0.881  1.0
  Cs  Cs2  1  0.158  0.183  0.381  1.0
  Cs  Cs3  1  0.817  0.842  0.119  1.0
  Pa  Pa4  1  0.471  0.529  0.750  1.0
  Pa  Pa5  1  0.529  0.471  0.250  1.0
  F  F6  1  0.553  0.309  0.074  1.0
  F  F7  1  0.691  0.447  0.426  1.0
  F  F8  1  0.447  0.691  0.926  1.0
  F  F9  1  0.309  0.553  0.574  1.0
  F  F10  1  0.596  0.193  0.788  1.0
  F  F11  1  0.807  0.404  0.712  1.0
  F  F12  1  0.404  0.807  0.212  1.0
  F  F13  1  0.193  0.596  0.288  1.0
  F  F14  1  0.543  0.783  0.527  1.0
  F  F15  1  0.217  0.457  0.973  1.0
  F  F16  1  0.457  0.217  0.473  1.0
  F  F17  1  0.783  0.543  0.027  1.0
  F  F18  1  0.166  0.834  0.750  1.0
  F  F19  1  0.834  0.166  0.250  1.0
[/CIF]
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The material structure described by Cs2PaF7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(4), three equivalent F(2), and three equivalent F(3) atoms. Pa(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(2), two equivalent F(3), and four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Pa(1) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Pa(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Pa(1) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one Pa(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.092
_cell_length_b   8.092
_cell_length_c   8.265
_cell_angle_alpha   61.164
_cell_angle_beta   61.164
_cell_angle_gamma   53.579
_symmetry_Int_Tables_number   1
_cell_volume   366.495
_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  0.842  0.817  0.619  1.0
  Cs  Cs1  1  0.183  0.158  0.881  1.0
  Cs  Cs2  1  0.158  0.183  0.381  1.0
  Cs  Cs3  1  0.817  0.842  0.119  1.0
  Pa  Pa4  1  0.471  0.529  0.750  1.0
  Pa  Pa5  1  0.529  0.471  0.250  1.0
  F  F6  1  0.553  0.309  0.074  1.0
  F  F7  1  0.691  0.447  0.426  1.0
  F  F8  1  0.447  0.691  0.926  1.0
  F  F9  1  0.309  0.553  0.574  1.0
  F  F10  1  0.596  0.193  0.788  1.0
  F  F11  1  0.807  0.404  0.712  1.0
  F  F12  1  0.404  0.807  0.212  1.0
  F  F13  1  0.193  0.596  0.288  1.0
  F  F14  1  0.543  0.783  0.527  1.0
  F  F15  1  0.217  0.457  0.973  1.0
  F  F16  1  0.457  0.217  0.473  1.0
  F  F17  1  0.783  0.543  0.027  1.0
  F  F18  1  0.166  0.834  0.750  1.0
  F  F19  1  0.834  0.166  0.250  1.0
[/CIF]
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