The crystal structure described by Cs2MgMo2(O2F3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(3), one F(5), and two equivalent F(6) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(6), and two equivalent F(5) atoms. Mg(1) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form distorted MgO2F2 tetrahedra that share  an edgeedge with one Mo(1)O2F4 octahedra and  an edgeedge with one Mo(2)O2F4 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one F(1), one F(2), one F(3), and one F(6) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(2)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(1)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(2), one Mg(1), and one Mo(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Cs(2), one Mg(1), and one Mo(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgMo2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   7.326
_cell_length_c   8.767
_cell_angle_alpha   118.294
_cell_angle_beta   109.229
_cell_angle_gamma   89.962
_symmetry_Int_Tables_number   1
_cell_volume   302.586
_cell_formula_units_Z   1
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  0.387  0.203  0.740  1.0
  Cs  Cs1  1  0.647  0.796  0.261  1.0
  Mg  Mg2  1  0.139  1.000  0.001  1.0
  Mo  Mo3  1  0.842  0.586  0.724  1.0
  Mo  Mo4  1  0.118  0.414  0.277  1.0
  O  O5  1  0.669  0.629  0.863  1.0
  O  O6  1  0.806  0.370  0.138  1.0
  O  O7  1  0.271  0.296  0.102  1.0
  O  O8  1  0.170  0.704  0.899  1.0
  F  F9  1  0.473  0.469  0.491  1.0
  F  F10  1  0.982  0.531  0.510  1.0
  F  F11  1  0.850  0.896  0.765  1.0
  F  F12  1  0.088  0.104  0.237  1.0
  F  F13  1  0.207  0.715  0.350  1.0
  F  F14  1  0.858  0.284  0.650  1.0
[/CIF]
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The crystal structure described by Cs2MgMo2(O2F3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one F(3), one F(5), and two equivalent F(6) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(6), and two equivalent F(5) atoms. Mg(1) is bonded to one O(3), one O(4), one F(3), and one F(4) atom to form distorted MgO2F2 tetrahedra that share  an edgeedge with one Mo(1)O2F4 octahedra and  an edgeedge with one Mo(2)O2F4 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one F(1), one F(2), one F(3), and one F(6) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(2)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form MoO2F4 octahedra that share corners with two equivalent Mo(1)O2F4 octahedra and  an edgeedge with one Mg(1)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cs(1), one Mg(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cs(2), one Mg(1), and one Mo(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Mg(1), and one Mo(1) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Cs(2), one Mg(1), and one Mo(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgMo2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   7.326
_cell_length_c   8.767
_cell_angle_alpha   118.294
_cell_angle_beta   109.229
_cell_angle_gamma   89.962
_symmetry_Int_Tables_number   1
_cell_volume   302.586
_cell_formula_units_Z   1
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  0.387  0.203  0.740  1.0
  Cs  Cs1  1  0.647  0.796  0.261  1.0
  Mg  Mg2  1  0.139  1.000  0.001  1.0
  Mo  Mo3  1  0.842  0.586  0.724  1.0
  Mo  Mo4  1  0.118  0.414  0.277  1.0
  O  O5  1  0.669  0.629  0.863  1.0
  O  O6  1  0.806  0.370  0.138  1.0
  O  O7  1  0.271  0.296  0.102  1.0
  O  O8  1  0.170  0.704  0.899  1.0
  F  F9  1  0.473  0.469  0.491  1.0
  F  F10  1  0.982  0.531  0.510  1.0
  F  F11  1  0.850  0.896  0.765  1.0
  F  F12  1  0.088  0.104  0.237  1.0
  F  F13  1  0.207  0.715  0.350  1.0
  F  F14  1  0.858  0.284  0.650  1.0
[/CIF]
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