The material described by NaMnO2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Na site, Na(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. is represented by the CIF card [CIF]
data_NaMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   5.400
_cell_length_c   4.486
_cell_angle_alpha   65.478
_cell_angle_beta   90.009
_cell_angle_gamma   65.619
_symmetry_Int_Tables_number   1
_cell_volume   87.771
_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  0.375  0.751  0.621  1.0
  Na  Na1  1  0.628  0.246  0.376  1.0
  Mn  Mn2  1  0.125  0.249  0.872  1.0
  Mn  Mn3  1  0.876  0.749  0.123  1.0
  O  O4  1  0.907  0.686  0.659  1.0
  O  O5  1  0.661  0.186  0.906  1.0
  O  O6  1  0.346  0.812  0.091  1.0
  O  O7  1  0.095  0.312  0.346  1.0
[/CIF]
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The material described by NaMnO2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the second Na site, Na(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-15°. is represented by the CIF card [CIF]
data_NaMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.469
_cell_length_b   5.400
_cell_length_c   4.486
_cell_angle_alpha   65.478
_cell_angle_beta   90.009
_cell_angle_gamma   65.619
_symmetry_Int_Tables_number   1
_cell_volume   87.771
_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  0.375  0.751  0.621  1.0
  Na  Na1  1  0.628  0.246  0.376  1.0
  Mn  Mn2  1  0.125  0.249  0.872  1.0
  Mn  Mn3  1  0.876  0.749  0.123  1.0
  O  O4  1  0.907  0.686  0.659  1.0
  O  O5  1  0.661  0.186  0.906  1.0
  O  O6  1  0.346  0.812  0.091  1.0
  O  O7  1  0.095  0.312  0.346  1.0
[/CIF]
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