The structure described by NaMn4O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Na(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing ONaMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mn(3), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   6.716
_cell_angle_alpha   63.436
_cell_angle_beta   63.436
_cell_angle_gamma   58.721
_symmetry_Int_Tables_number   1
_cell_volume   173.913
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.222  0.222  0.829  1.0
  O  O6  1  0.216  0.723  0.832  1.0
  O  O7  1  0.745  0.745  0.818  1.0
  O  O8  1  0.723  0.216  0.832  1.0
  O  O9  1  0.255  0.255  0.182  1.0
  O  O10  1  0.277  0.784  0.168  1.0
  O  O11  1  0.778  0.778  0.171  1.0
  O  O12  1  0.784  0.277  0.168  1.0
[/CIF]
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The structure described by NaMn4O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Na(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted edge and corner-sharing ONaMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mn(3), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   6.716
_cell_angle_alpha   63.436
_cell_angle_beta   63.436
_cell_angle_gamma   58.721
_symmetry_Int_Tables_number   1
_cell_volume   173.913
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.222  0.222  0.829  1.0
  O  O6  1  0.216  0.723  0.832  1.0
  O  O7  1  0.745  0.745  0.818  1.0
  O  O8  1  0.723  0.216  0.832  1.0
  O  O9  1  0.255  0.255  0.182  1.0
  O  O10  1  0.277  0.784  0.168  1.0
  O  O11  1  0.778  0.778  0.171  1.0
  O  O12  1  0.784  0.277  0.168  1.0
[/CIF]
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