The structure described by Rb2MoO2F4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 12-coordinate geometry to four equivalent O(1), one F(3), three equivalent F(1), and four equivalent F(2) atoms. In the second Rb site, Rb(2) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(1), two equivalent F(3), and four equivalent F(2) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) 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 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one 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   7.834
_cell_length_b   7.834
_cell_length_c   7.195
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.387
_symmetry_Int_Tables_number   1
_cell_volume   315.558
_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  0.772  0.228  0.496  1.0
  Rb  Rb1  1  0.228  0.772  0.996  1.0
  Rb  Rb2  1  0.549  0.451  0.008  1.0
  Rb  Rb3  1  0.451  0.549  0.508  1.0
  Mo  Mo4  1  0.886  0.114  0.984  1.0
  Mo  Mo5  1  0.114  0.886  0.484  1.0
  O  O6  1  0.896  0.655  0.331  1.0
  O  O7  1  0.104  0.345  0.831  1.0
  O  O8  1  0.655  0.896  0.831  1.0
  O  O9  1  0.345  0.104  0.331  1.0
  F  F10  1  0.750  0.250  0.034  1.0
  F  F11  1  0.250  0.750  0.534  1.0
  F  F12  1  0.108  0.337  0.205  1.0
  F  F13  1  0.892  0.663  0.705  1.0
  F  F14  1  0.337  0.108  0.705  1.0
  F  F15  1  0.663  0.892  0.205  1.0
  F  F16  1  0.981  0.019  0.514  1.0
  F  F17  1  0.019  0.981  0.014  1.0
[/CIF]
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The structure described by Rb2MoO2F4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 12-coordinate geometry to four equivalent O(1), one F(3), three equivalent F(1), and four equivalent F(2) atoms. In the second Rb site, Rb(2) is bonded in a 11-coordinate geometry to four equivalent O(1), one F(1), two equivalent F(3), and four equivalent F(2) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), one F(1), one F(3), and two equivalent F(2) 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 1-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one 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   7.834
_cell_length_b   7.834
_cell_length_c   7.195
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.387
_symmetry_Int_Tables_number   1
_cell_volume   315.558
_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  0.772  0.228  0.496  1.0
  Rb  Rb1  1  0.228  0.772  0.996  1.0
  Rb  Rb2  1  0.549  0.451  0.008  1.0
  Rb  Rb3  1  0.451  0.549  0.508  1.0
  Mo  Mo4  1  0.886  0.114  0.984  1.0
  Mo  Mo5  1  0.114  0.886  0.484  1.0
  O  O6  1  0.896  0.655  0.331  1.0
  O  O7  1  0.104  0.345  0.831  1.0
  O  O8  1  0.655  0.896  0.831  1.0
  O  O9  1  0.345  0.104  0.331  1.0
  F  F10  1  0.750  0.250  0.034  1.0
  F  F11  1  0.250  0.750  0.534  1.0
  F  F12  1  0.108  0.337  0.205  1.0
  F  F13  1  0.892  0.663  0.705  1.0
  F  F14  1  0.337  0.108  0.705  1.0
  F  F15  1  0.663  0.892  0.205  1.0
  F  F16  1  0.981  0.019  0.514  1.0
  F  F17  1  0.019  0.981  0.014  1.0
[/CIF]
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