The compound described by NaMn16O32 crystallizes in the tetragonal P4/m space group. Na(1) is bonded in a square co-planar geometry to four equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(6) is bonded to one Na(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted corner-sharing ONaMn3 tetrahedra. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_NaMn16O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.735
_cell_length_b   9.735
_cell_length_c   5.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.735
_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  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.349  0.167  0.251  1.0
  Mn  Mn2  1  0.349  0.167  0.749  1.0
  Mn  Mn3  1  0.833  0.349  0.251  1.0
  Mn  Mn4  1  0.833  0.349  0.749  1.0
  Mn  Mn5  1  0.167  0.651  0.749  1.0
  Mn  Mn6  1  0.167  0.651  0.251  1.0
  Mn  Mn7  1  0.651  0.833  0.749  1.0
  Mn  Mn8  1  0.651  0.833  0.251  1.0
  Mn  Mn9  1  0.848  0.668  0.500  1.0
  Mn  Mn10  1  0.849  0.668  1.000  1.0
  Mn  Mn11  1  0.332  0.848  0.500  1.0
  Mn  Mn12  1  0.332  0.849  1.000  1.0
  Mn  Mn13  1  0.668  0.152  0.500  1.0
  Mn  Mn14  1  0.668  0.151  0.000  1.0
  Mn  Mn15  1  0.152  0.332  0.500  1.0
  Mn  Mn16  1  0.151  0.332  1.000  1.0
  O  O17  1  0.662  0.958  0.500  1.0
  O  O18  1  0.662  0.958  1.000  1.0
  O  O19  1  0.042  0.662  0.500  1.0
  O  O20  1  0.042  0.662  1.000  1.0
  O  O21  1  0.958  0.338  0.500  1.0
  O  O22  1  0.958  0.338  0.000  1.0
  O  O23  1  0.338  0.042  0.500  1.0
  O  O24  1  0.338  0.042  1.000  1.0
  O  O25  1  0.166  0.457  0.750  1.0
  O  O26  1  0.166  0.457  0.250  1.0
  O  O27  1  0.543  0.166  0.750  1.0
  O  O28  1  0.543  0.166  0.250  1.0
  O  O29  1  0.457  0.834  0.250  1.0
  O  O30  1  0.457  0.834  0.750  1.0
  O  O31  1  0.834  0.543  0.250  1.0
  O  O32  1  0.834  0.543  0.750  1.0
  O  O33  1  0.844  0.797  0.250  1.0
  O  O34  1  0.844  0.797  0.750  1.0
  O  O35  1  0.203  0.844  0.750  1.0
  O  O36  1  0.203  0.844  0.250  1.0
  O  O37  1  0.156  0.203  0.750  1.0
  O  O38  1  0.156  0.203  0.250  1.0
  O  O39  1  0.797  0.156  0.250  1.0
  O  O40  1  0.797  0.156  0.750  1.0
  O  O41  1  0.346  0.297  0.500  1.0
  O  O42  1  0.347  0.299  1.000  1.0
  O  O43  1  0.703  0.346  0.500  1.0
  O  O44  1  0.701  0.347  0.000  1.0
  O  O45  1  0.654  0.703  0.500  1.0
  O  O46  1  0.653  0.701  1.000  1.0
  O  O47  1  0.297  0.654  0.500  1.0
  O  O48  1  0.299  0.653  1.000  1.0
[/CIF]
.
The compound described by NaMn16O32 crystallizes in the tetragonal P4/m space group. Na(1) is bonded in a square co-planar geometry to four equivalent O(6) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(5) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(6) is bonded to one Na(1), one Mn(3), and two equivalent Mn(1) atoms to form distorted corner-sharing ONaMn3 tetrahedra. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_NaMn16O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.735
_cell_length_b   9.735
_cell_length_c   5.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.735
_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  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.349  0.167  0.251  1.0
  Mn  Mn2  1  0.349  0.167  0.749  1.0
  Mn  Mn3  1  0.833  0.349  0.251  1.0
  Mn  Mn4  1  0.833  0.349  0.749  1.0
  Mn  Mn5  1  0.167  0.651  0.749  1.0
  Mn  Mn6  1  0.167  0.651  0.251  1.0
  Mn  Mn7  1  0.651  0.833  0.749  1.0
  Mn  Mn8  1  0.651  0.833  0.251  1.0
  Mn  Mn9  1  0.848  0.668  0.500  1.0
  Mn  Mn10  1  0.849  0.668  1.000  1.0
  Mn  Mn11  1  0.332  0.848  0.500  1.0
  Mn  Mn12  1  0.332  0.849  1.000  1.0
  Mn  Mn13  1  0.668  0.152  0.500  1.0
  Mn  Mn14  1  0.668  0.151  0.000  1.0
  Mn  Mn15  1  0.152  0.332  0.500  1.0
  Mn  Mn16  1  0.151  0.332  1.000  1.0
  O  O17  1  0.662  0.958  0.500  1.0
  O  O18  1  0.662  0.958  1.000  1.0
  O  O19  1  0.042  0.662  0.500  1.0
  O  O20  1  0.042  0.662  1.000  1.0
  O  O21  1  0.958  0.338  0.500  1.0
  O  O22  1  0.958  0.338  0.000  1.0
  O  O23  1  0.338  0.042  0.500  1.0
  O  O24  1  0.338  0.042  1.000  1.0
  O  O25  1  0.166  0.457  0.750  1.0
  O  O26  1  0.166  0.457  0.250  1.0
  O  O27  1  0.543  0.166  0.750  1.0
  O  O28  1  0.543  0.166  0.250  1.0
  O  O29  1  0.457  0.834  0.250  1.0
  O  O30  1  0.457  0.834  0.750  1.0
  O  O31  1  0.834  0.543  0.250  1.0
  O  O32  1  0.834  0.543  0.750  1.0
  O  O33  1  0.844  0.797  0.250  1.0
  O  O34  1  0.844  0.797  0.750  1.0
  O  O35  1  0.203  0.844  0.750  1.0
  O  O36  1  0.203  0.844  0.250  1.0
  O  O37  1  0.156  0.203  0.750  1.0
  O  O38  1  0.156  0.203  0.250  1.0
  O  O39  1  0.797  0.156  0.250  1.0
  O  O40  1  0.797  0.156  0.750  1.0
  O  O41  1  0.346  0.297  0.500  1.0
  O  O42  1  0.347  0.299  1.000  1.0
  O  O43  1  0.703  0.346  0.500  1.0
  O  O44  1  0.701  0.347  0.000  1.0
  O  O45  1  0.654  0.703  0.500  1.0
  O  O46  1  0.653  0.701  1.000  1.0
  O  O47  1  0.297  0.654  0.500  1.0
  O  O48  1  0.299  0.653  1.000  1.0
[/CIF]
.