The material described by Cs2MgV2Mn(O3Br)2 crystallizes in the orthorhombic Cmm2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent O(1), two equivalent O(2), three equivalent O(3), and one Br(1) atom. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one 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 2-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 distorted 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 two equivalent Cs(1), one Mg(1), and two equivalent Mn(1) atoms to form distorted corner-sharing BrCs2MgMn2 trigonal bipyramids. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Cs2MgMnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.227
_cell_length_b   5.598
_cell_length_c   9.685
_cell_angle_alpha   106.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.163
_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  0.122  0.670  0.340  1.0
  Cs  Cs1  1  0.122  0.330  0.660  1.0
  Mg  Mg2  1  0.850  0.500  0.000  1.0
  Mn  Mn3  1  0.415  0.000  0.000  1.0
  V  V4  1  0.590  0.808  0.615  1.0
  V  V5  1  0.590  0.192  0.385  1.0
  Br  Br6  1  0.432  0.500  0.000  1.0
  Br  Br7  1  0.951  0.000  0.000  1.0
  O  O8  1  0.497  0.500  0.500  1.0
  O  O9  1  0.455  0.892  0.785  1.0
  O  O10  1  0.860  0.811  0.622  1.0
  O  O11  1  0.860  0.189  0.378  1.0
  O  O12  1  0.497  0.000  0.500  1.0
  O  O13  1  0.455  0.108  0.215  1.0
[/CIF]
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The material described by Cs2MgV2Mn(O3Br)2 crystallizes in the orthorhombic Cmm2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent O(1), two equivalent O(2), three equivalent O(3), and one Br(1) atom. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one 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 2-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 distorted 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 two equivalent Cs(1), one Mg(1), and two equivalent Mn(1) atoms to form distorted corner-sharing BrCs2MgMn2 trigonal bipyramids. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Cs2MgMnV2(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.227
_cell_length_b   5.598
_cell_length_c   9.685
_cell_angle_alpha   106.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.163
_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  0.122  0.670  0.340  1.0
  Cs  Cs1  1  0.122  0.330  0.660  1.0
  Mg  Mg2  1  0.850  0.500  0.000  1.0
  Mn  Mn3  1  0.415  0.000  0.000  1.0
  V  V4  1  0.590  0.808  0.615  1.0
  V  V5  1  0.590  0.192  0.385  1.0
  Br  Br6  1  0.432  0.500  0.000  1.0
  Br  Br7  1  0.951  0.000  0.000  1.0
  O  O8  1  0.497  0.500  0.500  1.0
  O  O9  1  0.455  0.892  0.785  1.0
  O  O10  1  0.860  0.811  0.622  1.0
  O  O11  1  0.860  0.189  0.378  1.0
  O  O12  1  0.497  0.000  0.500  1.0
  O  O13  1  0.455  0.108  0.215  1.0
[/CIF]
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