The crystal structure described by CsMnMoO3F3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(1) and two equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MoO4F2 octahedra that share corners with two equivalent Mo(1)O4F2 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-49°. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with four equivalent Mo(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMnMo(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.534
_cell_length_b   7.518
_cell_length_c   7.517
_cell_angle_alpha   88.581
_cell_angle_beta   61.714
_cell_angle_gamma   118.284
_symmetry_Int_Tables_number   1
_cell_volume   312.660
_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  0.750  0.374  0.375  1.0
  Cs  Cs1  1  0.250  0.625  0.626  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.501  0.000  1.000  1.0
  Mo  Mo5  1  0.001  1.000  1.000  1.0
  O  O6  1  0.750  0.042  0.042  1.0
  O  O7  1  0.250  0.958  0.958  1.0
  O  O8  1  0.105  0.031  0.717  1.0
  O  O9  1  0.394  0.717  0.032  1.0
  O  O10  1  0.605  0.282  0.969  1.0
  O  O11  1  0.895  0.969  0.282  1.0
  F  F12  1  0.250  0.334  0.334  1.0
  F  F13  1  0.750  0.666  0.666  1.0
  F  F14  1  0.771  0.683  0.079  1.0
  F  F15  1  0.272  0.921  0.317  1.0
  F  F16  1  0.728  0.079  0.683  1.0
  F  F17  1  0.228  0.317  0.921  1.0
[/CIF]
.
The crystal structure described by CsMnMoO3F3 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 3-coordinate geometry to one F(1) and two equivalent F(2) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form MoO4F2 octahedra that share corners with two equivalent Mo(1)O4F2 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-49°. Mn(1) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra and corners with four equivalent Mo(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Cs(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one Mo(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsMnMo(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.534
_cell_length_b   7.518
_cell_length_c   7.517
_cell_angle_alpha   88.581
_cell_angle_beta   61.714
_cell_angle_gamma   118.284
_symmetry_Int_Tables_number   1
_cell_volume   312.660
_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  0.750  0.374  0.375  1.0
  Cs  Cs1  1  0.250  0.625  0.626  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  Mo  Mo4  1  0.501  0.000  1.000  1.0
  Mo  Mo5  1  0.001  1.000  1.000  1.0
  O  O6  1  0.750  0.042  0.042  1.0
  O  O7  1  0.250  0.958  0.958  1.0
  O  O8  1  0.105  0.031  0.717  1.0
  O  O9  1  0.394  0.717  0.032  1.0
  O  O10  1  0.605  0.282  0.969  1.0
  O  O11  1  0.895  0.969  0.282  1.0
  F  F12  1  0.250  0.334  0.334  1.0
  F  F13  1  0.750  0.666  0.666  1.0
  F  F14  1  0.771  0.683  0.079  1.0
  F  F15  1  0.272  0.921  0.317  1.0
  F  F16  1  0.728  0.079  0.683  1.0
  F  F17  1  0.228  0.317  0.921  1.0
[/CIF]
.