The material structure described by Cs2V2Mn(O3Br)2 crystallizes in the orthorhombic Cmm2 space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), three equivalent O(3), two equivalent Br(1), and two equivalent Br(2) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(2), one Br(2), and two equivalent Br(1) atoms. There are three 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 bent 150 degrees 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 single-bond geometry to three equivalent Cs(1) and one V(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Cs(1) 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 4°. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.763
_cell_length_b   6.032
_cell_length_c   9.445
_cell_angle_alpha   90.000
_cell_angle_beta   107.761
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.667
_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
  Br  Br0  1  0.500  0.473  0.000  1.0
  Br  Br1  1  0.000  0.025  0.000  1.0
  Cs  Cs2  1  0.367  0.944  0.733  1.0
  Cs  Cs3  1  0.633  0.944  0.267  1.0
  Mn  Mn4  1  1.000  0.456  1.000  1.0
  O  O5  1  0.500  0.560  0.500  1.0
  O  O6  1  1.000  0.560  0.500  1.0
  O  O7  1  0.110  0.546  0.221  1.0
  O  O8  1  0.890  0.546  0.779  1.0
  O  O9  1  0.202  0.178  0.404  1.0
  O  O10  1  0.798  0.178  0.596  1.0
  V  V11  1  0.200  0.452  0.399  1.0
  V  V12  1  0.800  0.452  0.601  1.0
[/CIF]
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The material structure described by Cs2V2Mn(O3Br)2 crystallizes in the orthorhombic Cmm2 space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), three equivalent O(3), two equivalent Br(1), and two equivalent Br(2) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(2), one Br(2), and two equivalent Br(1) atoms. There are three 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 bent 150 degrees 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 single-bond geometry to three equivalent Cs(1) and one V(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Cs(1) 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 4°. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.763
_cell_length_b   6.032
_cell_length_c   9.445
_cell_angle_alpha   90.000
_cell_angle_beta   107.761
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.667
_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
  Br  Br0  1  0.500  0.473  0.000  1.0
  Br  Br1  1  0.000  0.025  0.000  1.0
  Cs  Cs2  1  0.367  0.944  0.733  1.0
  Cs  Cs3  1  0.633  0.944  0.267  1.0
  Mn  Mn4  1  1.000  0.456  1.000  1.0
  O  O5  1  0.500  0.560  0.500  1.0
  O  O6  1  1.000  0.560  0.500  1.0
  O  O7  1  0.110  0.546  0.221  1.0
  O  O8  1  0.890  0.546  0.779  1.0
  O  O9  1  0.202  0.178  0.404  1.0
  O  O10  1  0.798  0.178  0.596  1.0
  V  V11  1  0.200  0.452  0.399  1.0
  V  V12  1  0.800  0.452  0.601  1.0
[/CIF]
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