The material described by Rb2MoO2F4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(2), two equivalent F(1), and four equivalent F(3) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to one Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Rb2Mo(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.882
_cell_length_b   7.882
_cell_length_c   7.252
_cell_angle_alpha   89.592
_cell_angle_beta   89.592
_cell_angle_gamma   134.461
_symmetry_Int_Tables_number   1
_cell_volume   321.530
_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
  Rb  Rb0  1  0.556  0.444  0.250  1.0
  Rb  Rb1  1  0.444  0.556  0.750  1.0
  Rb  Rb2  1  0.233  0.767  0.250  1.0
  Rb  Rb3  1  0.767  0.233  0.750  1.0
  Mo  Mo4  1  0.890  0.110  0.250  1.0
  Mo  Mo5  1  0.110  0.890  0.750  1.0
  O  O6  1  0.099  0.332  0.074  1.0
  O  O7  1  0.332  0.099  0.574  1.0
  O  O8  1  0.901  0.668  0.926  1.0
  O  O9  1  0.668  0.901  0.426  1.0
  F  F10  1  0.753  0.247  0.250  1.0
  F  F11  1  0.247  0.753  0.750  1.0
  F  F12  1  0.024  0.976  0.250  1.0
  F  F13  1  0.976  0.024  0.750  1.0
  F  F14  1  0.345  0.115  0.940  1.0
  F  F15  1  0.115  0.345  0.440  1.0
  F  F16  1  0.655  0.885  0.060  1.0
  F  F17  1  0.885  0.655  0.560  1.0
[/CIF]
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The material described by Rb2MoO2F4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(2), two equivalent F(1), and four equivalent F(3) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), one F(1), one F(2), and two equivalent F(3) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted square co-planar geometry to one Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Mo(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Rb2Mo(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.882
_cell_length_b   7.882
_cell_length_c   7.252
_cell_angle_alpha   89.592
_cell_angle_beta   89.592
_cell_angle_gamma   134.461
_symmetry_Int_Tables_number   1
_cell_volume   321.530
_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
  Rb  Rb0  1  0.556  0.444  0.250  1.0
  Rb  Rb1  1  0.444  0.556  0.750  1.0
  Rb  Rb2  1  0.233  0.767  0.250  1.0
  Rb  Rb3  1  0.767  0.233  0.750  1.0
  Mo  Mo4  1  0.890  0.110  0.250  1.0
  Mo  Mo5  1  0.110  0.890  0.750  1.0
  O  O6  1  0.099  0.332  0.074  1.0
  O  O7  1  0.332  0.099  0.574  1.0
  O  O8  1  0.901  0.668  0.926  1.0
  O  O9  1  0.668  0.901  0.426  1.0
  F  F10  1  0.753  0.247  0.250  1.0
  F  F11  1  0.247  0.753  0.750  1.0
  F  F12  1  0.024  0.976  0.250  1.0
  F  F13  1  0.976  0.024  0.750  1.0
  F  F14  1  0.345  0.115  0.940  1.0
  F  F15  1  0.115  0.345  0.440  1.0
  F  F16  1  0.655  0.885  0.060  1.0
  F  F17  1  0.885  0.655  0.560  1.0
[/CIF]
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