The structure described by Cs2MgV2Mn(O3Cl)2 crystallizes in the monoclinic P2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. Mg(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one O(2), and two equivalent O(1) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. Mn(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and two equivalent Cl(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Mn(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgMnV2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.940
_cell_length_c   9.313
_cell_angle_alpha   103.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.764
_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  0.156  0.509  0.228  1.0
  Cs  Cs1  1  0.156  0.491  0.772  1.0
  Mg  Mg2  1  0.142  0.000  0.500  1.0
  Mn  Mn3  1  0.623  0.000  0.000  1.0
  V  V4  1  0.639  0.789  0.599  1.0
  V  V5  1  0.639  0.211  0.401  1.0
  Cl  Cl6  1  0.059  0.000  0.000  1.0
  Cl  Cl7  1  0.635  0.500  0.000  1.0
  O  O8  1  0.946  0.783  0.561  1.0
  O  O9  1  0.480  0.000  0.500  1.0
  O  O10  1  0.543  0.124  0.218  1.0
  O  O11  1  0.520  0.500  0.500  1.0
  O  O12  1  0.946  0.217  0.439  1.0
  O  O13  1  0.543  0.876  0.782  1.0
[/CIF]
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The structure described by Cs2MgV2Mn(O3Cl)2 crystallizes in the monoclinic P2 space group. Cs(1) is bonded in a 9-coordinate geometry to one Mg(1), one O(3), one O(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. Mg(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one O(2), and two equivalent O(1) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. Mn(1) is bonded in a 3-coordinate geometry to two equivalent O(3), one Cl(1), and two equivalent Cl(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent V(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to four equivalent Cs(1) and one Mn(1) atom. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ClCs4Mn2 octahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2MgMnV2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.940
_cell_length_c   9.313
_cell_angle_alpha   103.495
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.764
_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  0.156  0.509  0.228  1.0
  Cs  Cs1  1  0.156  0.491  0.772  1.0
  Mg  Mg2  1  0.142  0.000  0.500  1.0
  Mn  Mn3  1  0.623  0.000  0.000  1.0
  V  V4  1  0.639  0.789  0.599  1.0
  V  V5  1  0.639  0.211  0.401  1.0
  Cl  Cl6  1  0.059  0.000  0.000  1.0
  Cl  Cl7  1  0.635  0.500  0.000  1.0
  O  O8  1  0.946  0.783  0.561  1.0
  O  O9  1  0.480  0.000  0.500  1.0
  O  O10  1  0.543  0.124  0.218  1.0
  O  O11  1  0.520  0.500  0.500  1.0
  O  O12  1  0.946  0.217  0.439  1.0
  O  O13  1  0.543  0.876  0.782  1.0
[/CIF]
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