The crystal structure described by Cs2MgV2Mn(O3Br)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(3), two equivalent Br(1), and two equivalent Br(2) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent Br(1), and two equivalent Br(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to one Cs(2), one O(4), one O(5), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(1) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(2), one O(5), two equivalent Br(1), and two equivalent Br(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(2), one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(2), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(2), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Mn(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing BrCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Cs2MgMnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   5.876
_cell_length_c   9.352
_cell_angle_alpha   108.302
_cell_angle_beta   90.720
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   316.978
_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  0.021  0.627  0.255  1.0
  Cs  Cs1  1  0.049  0.386  0.771  1.0
  Mg  Mg2  1  0.204  0.197  0.395  1.0
  Mn  Mn3  1  0.516  0.998  0.995  1.0
  V  V4  1  0.530  0.795  0.590  1.0
  V  V5  1  0.610  0.198  0.396  1.0
  Br  Br6  1  0.525  0.506  0.013  1.0
  Br  Br7  1  0.964  0.012  0.023  1.0
  O  O8  1  0.421  0.469  0.486  1.0
  O  O9  1  0.433  0.889  0.778  1.0
  O  O10  1  0.803  0.776  0.553  1.0
  O  O11  1  0.898  0.213  0.425  1.0
  O  O12  1  0.421  0.017  0.486  1.0
  O  O13  1  0.453  0.112  0.224  1.0
[/CIF]
.
The crystal structure described by Cs2MgV2Mn(O3Br)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(3), two equivalent Br(1), and two equivalent Br(2) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to one Mg(1), one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent Br(1), and two equivalent Br(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to one Cs(2), one O(4), one O(5), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(1) atoms. Mn(1) is bonded in a 2-coordinate geometry to one O(2), one O(5), two equivalent Br(1), and two equivalent Br(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(2), one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Cs(2), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(2), one Mg(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Mn(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing BrCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Cs2MgMnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   5.876
_cell_length_c   9.352
_cell_angle_alpha   108.302
_cell_angle_beta   90.720
_cell_angle_gamma   90.014
_symmetry_Int_Tables_number   1
_cell_volume   316.978
_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  0.021  0.627  0.255  1.0
  Cs  Cs1  1  0.049  0.386  0.771  1.0
  Mg  Mg2  1  0.204  0.197  0.395  1.0
  Mn  Mn3  1  0.516  0.998  0.995  1.0
  V  V4  1  0.530  0.795  0.590  1.0
  V  V5  1  0.610  0.198  0.396  1.0
  Br  Br6  1  0.525  0.506  0.013  1.0
  Br  Br7  1  0.964  0.012  0.023  1.0
  O  O8  1  0.421  0.469  0.486  1.0
  O  O9  1  0.433  0.889  0.778  1.0
  O  O10  1  0.803  0.776  0.553  1.0
  O  O11  1  0.898  0.213  0.425  1.0
  O  O12  1  0.421  0.017  0.486  1.0
  O  O13  1  0.453  0.112  0.224  1.0
[/CIF]
.