The material structure described by Na2MnCl4 crystallizes in the orthorhombic Pbam space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Cl(1) and four equivalent Cl(2) atoms. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form edge-sharing MnCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to four equivalent Na(1) and one Mn(1) atom to form distorted ClNa4Mn trigonal bipyramids that share corners with five equivalent Cl(2)Na4Mn trigonal bipyramids, corners with eight equivalent Cl(1)Na2Mn2 trigonal pyramids, edges with four equivalent Cl(2)Na4Mn trigonal bipyramids, and edges with two equivalent Cl(1)Na2Mn2 trigonal pyramids. In the second Cl site, Cl(1) is bonded to two equivalent Na(1) and two equivalent Mn(1) atoms to form distorted ClNa2Mn2 trigonal pyramids that share corners with eight equivalent Cl(2)Na4Mn trigonal bipyramids, corners with four equivalent Cl(1)Na2Mn2 trigonal pyramids, edges with two equivalent Cl(2)Na4Mn trigonal bipyramids, and edges with two equivalent Cl(1)Na2Mn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   6.876
_cell_length_c   11.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.935
_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
  Na  Na0  1  0.500  0.084  0.681  1.0
  Na  Na1  1  0.500  0.916  0.319  1.0
  Na  Na2  1  0.500  0.416  0.181  1.0
  Na  Na3  1  0.500  0.584  0.819  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.500  0.740  0.545  1.0
  Cl  Cl7  1  0.500  0.260  0.455  1.0
  Cl  Cl8  1  0.000  0.123  0.197  1.0
  Cl  Cl9  1  0.000  0.877  0.803  1.0
  Cl  Cl10  1  0.000  0.623  0.303  1.0
  Cl  Cl11  1  0.000  0.377  0.697  1.0
  Cl  Cl12  1  0.500  0.240  0.955  1.0
  Cl  Cl13  1  0.500  0.760  0.045  1.0
[/CIF]
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The material structure described by Na2MnCl4 crystallizes in the orthorhombic Pbam space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent Cl(1) and four equivalent Cl(2) atoms. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form edge-sharing MnCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to four equivalent Na(1) and one Mn(1) atom to form distorted ClNa4Mn trigonal bipyramids that share corners with five equivalent Cl(2)Na4Mn trigonal bipyramids, corners with eight equivalent Cl(1)Na2Mn2 trigonal pyramids, edges with four equivalent Cl(2)Na4Mn trigonal bipyramids, and edges with two equivalent Cl(1)Na2Mn2 trigonal pyramids. In the second Cl site, Cl(1) is bonded to two equivalent Na(1) and two equivalent Mn(1) atoms to form distorted ClNa2Mn2 trigonal pyramids that share corners with eight equivalent Cl(2)Na4Mn trigonal bipyramids, corners with four equivalent Cl(1)Na2Mn2 trigonal pyramids, edges with two equivalent Cl(2)Na4Mn trigonal bipyramids, and edges with two equivalent Cl(1)Na2Mn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   6.876
_cell_length_c   11.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.935
_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
  Na  Na0  1  0.500  0.084  0.681  1.0
  Na  Na1  1  0.500  0.916  0.319  1.0
  Na  Na2  1  0.500  0.416  0.181  1.0
  Na  Na3  1  0.500  0.584  0.819  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.500  0.740  0.545  1.0
  Cl  Cl7  1  0.500  0.260  0.455  1.0
  Cl  Cl8  1  0.000  0.123  0.197  1.0
  Cl  Cl9  1  0.000  0.877  0.803  1.0
  Cl  Cl10  1  0.000  0.623  0.303  1.0
  Cl  Cl11  1  0.000  0.377  0.697  1.0
  Cl  Cl12  1  0.500  0.240  0.955  1.0
  Cl  Cl13  1  0.500  0.760  0.045  1.0
[/CIF]
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