The crystal structure described by CsV2Mn2O7Cl crystallizes in the orthorhombic Pma2 space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), four equivalent O(2), and two equivalent Cl(1) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Mn(2)Cl2O4 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted MnCl2O4 octahedra that share corners with two equivalent Mn(2)Cl2O4 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cs(1), one V(1), one Mn(1), and one Mn(2) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_CsMn2V2ClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.410
_cell_length_b   5.652
_cell_length_c   15.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.543
_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  0.896  0.964  0.250  1.0
  Cs  Cs1  1  0.896  0.036  0.750  1.0
  Mn  Mn2  1  0.927  0.500  0.500  1.0
  Mn  Mn3  1  0.308  0.000  0.000  1.0
  Mn  Mn4  1  0.927  0.500  0.000  1.0
  Mn  Mn5  1  0.308  0.000  0.500  1.0
  V  V6  1  0.400  0.483  0.364  1.0
  V  V7  1  0.400  0.517  0.636  1.0
  V  V8  1  0.400  0.517  0.864  1.0
  V  V9  1  0.400  0.483  0.136  1.0
  Cl  Cl10  1  0.788  0.000  0.500  1.0
  Cl  Cl11  1  0.788  0.000  0.000  1.0
  O  O12  1  0.351  0.426  0.750  1.0
  O  O13  1  0.351  0.574  0.250  1.0
  O  O14  1  0.708  0.502  0.613  1.0
  O  O15  1  0.708  0.498  0.387  1.0
  O  O16  1  0.708  0.498  0.113  1.0
  O  O17  1  0.708  0.502  0.887  1.0
  O  O18  1  0.297  0.800  0.880  1.0
  O  O19  1  0.297  0.200  0.380  1.0
  O  O20  1  0.297  0.800  0.620  1.0
  O  O21  1  0.297  0.200  0.120  1.0
  O  O22  1  0.230  0.325  0.931  1.0
  O  O23  1  0.230  0.325  0.569  1.0
  O  O24  1  0.230  0.675  0.069  1.0
  O  O25  1  0.230  0.675  0.431  1.0
[/CIF]
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The crystal structure described by CsV2Mn2O7Cl crystallizes in the orthorhombic Pma2 space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), four equivalent O(2), and two equivalent Cl(1) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with two equivalent Mn(2)Cl2O4 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted MnCl2O4 octahedra that share corners with two equivalent Mn(2)Cl2O4 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cs(1), one V(1), one Mn(1), and one Mn(2) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), two equivalent Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_CsMn2V2ClO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.410
_cell_length_b   5.652
_cell_length_c   15.193
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.543
_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  0.896  0.964  0.250  1.0
  Cs  Cs1  1  0.896  0.036  0.750  1.0
  Mn  Mn2  1  0.927  0.500  0.500  1.0
  Mn  Mn3  1  0.308  0.000  0.000  1.0
  Mn  Mn4  1  0.927  0.500  0.000  1.0
  Mn  Mn5  1  0.308  0.000  0.500  1.0
  V  V6  1  0.400  0.483  0.364  1.0
  V  V7  1  0.400  0.517  0.636  1.0
  V  V8  1  0.400  0.517  0.864  1.0
  V  V9  1  0.400  0.483  0.136  1.0
  Cl  Cl10  1  0.788  0.000  0.500  1.0
  Cl  Cl11  1  0.788  0.000  0.000  1.0
  O  O12  1  0.351  0.426  0.750  1.0
  O  O13  1  0.351  0.574  0.250  1.0
  O  O14  1  0.708  0.502  0.613  1.0
  O  O15  1  0.708  0.498  0.387  1.0
  O  O16  1  0.708  0.498  0.113  1.0
  O  O17  1  0.708  0.502  0.887  1.0
  O  O18  1  0.297  0.800  0.880  1.0
  O  O19  1  0.297  0.200  0.380  1.0
  O  O20  1  0.297  0.800  0.620  1.0
  O  O21  1  0.297  0.200  0.120  1.0
  O  O22  1  0.230  0.325  0.931  1.0
  O  O23  1  0.230  0.325  0.569  1.0
  O  O24  1  0.230  0.675  0.069  1.0
  O  O25  1  0.230  0.675  0.431  1.0
[/CIF]
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