The material described by Na4MgMn2O6 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 square pyramids that share corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with three equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(3)O5 square pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted NaO5 square pyramids that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with three equivalent Na(1)O5 square pyramids, corners with four equivalent Na(3)O5 square pyramids,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Na(3)O5 square pyramid, edges with two equivalent Na(1)O5 square pyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Na(3)O5 square pyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(4), one Mg(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mg(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing ONa4Mn2 octahedra. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(4), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing ONa3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. is represented by the CIF file [CIF]
data_Na4MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.692
_cell_length_b   6.671
_cell_length_c   12.356
_cell_angle_alpha   67.564
_cell_angle_beta   159.332
_cell_angle_gamma   122.995
_symmetry_Int_Tables_number   1
_cell_volume   169.268
_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  0.487  0.522  0.998  1.0
  Na  Na1  1  0.051  0.097  0.219  1.0
  Na  Na2  1  0.920  0.890  0.734  1.0
  Na  Na3  1  0.238  0.629  0.169  1.0
  Mg  Mg4  1  0.404  0.219  0.627  1.0
  Mn  Mn5  1  0.319  0.776  0.640  1.0
  Mn  Mn6  1  0.651  0.195  0.336  1.0
  O  O7  1  0.269  0.129  0.724  1.0
  O  O8  1  0.737  0.856  0.247  1.0
  O  O9  1  0.221  0.482  0.505  1.0
  O  O10  1  0.049  0.859  0.126  1.0
  O  O11  1  0.909  0.139  0.846  1.0
  O  O12  1  0.786  0.467  0.478  1.0
[/CIF]
.
The material described by Na4MgMn2O6 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO5 square pyramids that share corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with three equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(3)O5 square pyramid,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted NaO5 square pyramids that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Mn(2)O5 trigonal bipyramids, corners with four equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with three equivalent Na(1)O5 square pyramids, corners with four equivalent Na(3)O5 square pyramids,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Na(1)O5 square pyramid, corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Na(3)O5 square pyramid, edges with two equivalent Na(1)O5 square pyramids, edges with two equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Na(1)O5 square pyramids, corners with two equivalent Na(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Na(1)O5 square pyramid,  an edgeedge with one Na(3)O5 square pyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(4), one Mg(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mg(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing ONa4Mn2 octahedra. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded to one Na(1), one Na(2), one Na(4), one Mn(1), and one Mn(2) atom to form a mixture of edge and corner-sharing ONa3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 30°. is represented by the CIF file [CIF]
data_Na4MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.692
_cell_length_b   6.671
_cell_length_c   12.356
_cell_angle_alpha   67.564
_cell_angle_beta   159.332
_cell_angle_gamma   122.995
_symmetry_Int_Tables_number   1
_cell_volume   169.268
_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  0.487  0.522  0.998  1.0
  Na  Na1  1  0.051  0.097  0.219  1.0
  Na  Na2  1  0.920  0.890  0.734  1.0
  Na  Na3  1  0.238  0.629  0.169  1.0
  Mg  Mg4  1  0.404  0.219  0.627  1.0
  Mn  Mn5  1  0.319  0.776  0.640  1.0
  Mn  Mn6  1  0.651  0.195  0.336  1.0
  O  O7  1  0.269  0.129  0.724  1.0
  O  O8  1  0.737  0.856  0.247  1.0
  O  O9  1  0.221  0.482  0.505  1.0
  O  O10  1  0.049  0.859  0.126  1.0
  O  O11  1  0.909  0.139  0.846  1.0
  O  O12  1  0.786  0.467  0.478  1.0
[/CIF]
.