The material described by Na4MgMn4O8 crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(4), and two equivalent O(7) atoms. In the third Na site, Na(3) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Na(3)O5 trigonal bipyramids. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(3), and two equivalent O(8) atoms. Mg(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Na(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 square pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(6) atoms to form MnO5 square pyramids that share corners with two equivalent Mn(4)O5 square pyramids, corners with four equivalent Na(3)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Na(3)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(3)O5 square pyramids, edges with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(8), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mg(1), and two equivalent Mn(1) atoms to form distorted ONa2MgMn2 trigonal bipyramids that share corners with four equivalent O(5)Na3MgMn2 octahedra, corners with two equivalent O(6)Na2Mn3 trigonal bipyramids,  an edgeedge with one O(5)Na3MgMn2 octahedra, edges with two equivalent O(1)Na2MgMn2 trigonal bipyramids, and  a faceface with one O(5)Na3MgMn2 octahedra. The corner-sharing octahedral tilt angles range from 18-44°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(3), and two equivalent Mn(2) atoms to form distorted ONa3Mn2 trigonal bipyramids that share corners with two equivalent O(5)Na3MgMn2 octahedra, corners with four equivalent O(6)Na2Mn3 trigonal bipyramids, edges with two equivalent O(6)Na2Mn3 trigonal bipyramids, and edges with two equivalent O(2)Na3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 85°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(4), two equivalent Mg(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Mn(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded to one Na(3), two equivalent Na(1), one Mg(1), and two equivalent Mn(1) atoms to form ONa3MgMn2 octahedra that share corners with two equivalent O(2)Na3Mn2 trigonal bipyramids, corners with four equivalent O(1)Na2MgMn2 trigonal bipyramids, corners with four equivalent O(6)Na2Mn3 trigonal bipyramids, edges with two equivalent O(5)Na3MgMn2 octahedra,  an edgeedge with one O(1)Na2MgMn2 trigonal bipyramid, and  a faceface with one O(1)Na2MgMn2 trigonal bipyramid. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa2Mn3 trigonal bipyramids that share corners with four equivalent O(5)Na3MgMn2 octahedra, corners with two equivalent O(1)Na2MgMn2 trigonal bipyramids, corners with four equivalent O(2)Na3Mn2 trigonal bipyramids, edges with two equivalent O(6)Na2Mn3 trigonal bipyramids, and edges with two equivalent O(2)Na3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-64°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(4), two equivalent Na(2), one Mn(3), and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(4), one Mn(4), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.004
_cell_length_b   5.840
_cell_length_c   12.961
_cell_angle_alpha   98.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.940
_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  0.250  0.559  0.138  1.0
  Na  Na1  1  0.250  0.045  0.636  1.0
  Na  Na2  1  0.750  0.431  0.910  1.0
  Na  Na3  1  0.750  0.994  0.427  1.0
  Mg  Mg4  1  0.750  0.158  0.222  1.0
  Mn  Mn5  1  0.250  0.992  0.051  1.0
  Mn  Mn6  1  0.750  0.922  0.839  1.0
  Mn  Mn7  1  0.750  0.490  0.413  1.0
  Mn  Mn8  1  0.250  0.550  0.616  1.0
  O  O9  1  0.750  0.848  0.143  1.0
  O  O10  1  0.250  0.132  0.817  1.0
  O  O11  1  0.250  0.263  0.319  1.0
  O  O12  1  0.750  0.738  0.684  1.0
  O  O13  1  0.750  0.263  0.078  1.0
  O  O14  1  0.250  0.763  0.904  1.0
  O  O15  1  0.750  0.331  0.564  1.0
  O  O16  1  0.250  0.723  0.472  1.0
[/CIF]
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The material described by Na4MgMn4O8 crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(4), and two equivalent O(7) atoms. In the third Na site, Na(3) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted NaO5 trigonal bipyramids that share corners with four equivalent Mn(2)O5 square pyramids,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Na(3)O5 trigonal bipyramids. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(3), and two equivalent O(8) atoms. Mg(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Na(3)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 square pyramid. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(5) atoms. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(6) atoms to form MnO5 square pyramids that share corners with two equivalent Mn(4)O5 square pyramids, corners with four equivalent Na(3)O5 trigonal bipyramids, edges with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Na(3)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(7), two equivalent O(3), and two equivalent O(8) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(3)O5 square pyramids, edges with two equivalent Mn(4)O5 square pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(8), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mg(1), and two equivalent Mn(1) atoms to form distorted ONa2MgMn2 trigonal bipyramids that share corners with four equivalent O(5)Na3MgMn2 octahedra, corners with two equivalent O(6)Na2Mn3 trigonal bipyramids,  an edgeedge with one O(5)Na3MgMn2 octahedra, edges with two equivalent O(1)Na2MgMn2 trigonal bipyramids, and  a faceface with one O(5)Na3MgMn2 octahedra. The corner-sharing octahedral tilt angles range from 18-44°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(3), and two equivalent Mn(2) atoms to form distorted ONa3Mn2 trigonal bipyramids that share corners with two equivalent O(5)Na3MgMn2 octahedra, corners with four equivalent O(6)Na2Mn3 trigonal bipyramids, edges with two equivalent O(6)Na2Mn3 trigonal bipyramids, and edges with two equivalent O(2)Na3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 85°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(4), two equivalent Mg(1), and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Mn(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded to one Na(3), two equivalent Na(1), one Mg(1), and two equivalent Mn(1) atoms to form ONa3MgMn2 octahedra that share corners with two equivalent O(2)Na3Mn2 trigonal bipyramids, corners with four equivalent O(1)Na2MgMn2 trigonal bipyramids, corners with four equivalent O(6)Na2Mn3 trigonal bipyramids, edges with two equivalent O(5)Na3MgMn2 octahedra,  an edgeedge with one O(1)Na2MgMn2 trigonal bipyramid, and  a faceface with one O(1)Na2MgMn2 trigonal bipyramid. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa2Mn3 trigonal bipyramids that share corners with four equivalent O(5)Na3MgMn2 octahedra, corners with two equivalent O(1)Na2MgMn2 trigonal bipyramids, corners with four equivalent O(2)Na3Mn2 trigonal bipyramids, edges with two equivalent O(6)Na2Mn3 trigonal bipyramids, and edges with two equivalent O(2)Na3Mn2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-64°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Na(4), two equivalent Na(2), one Mn(3), and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(4), one Mn(4), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.004
_cell_length_b   5.840
_cell_length_c   12.961
_cell_angle_alpha   98.370
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.940
_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  0.250  0.559  0.138  1.0
  Na  Na1  1  0.250  0.045  0.636  1.0
  Na  Na2  1  0.750  0.431  0.910  1.0
  Na  Na3  1  0.750  0.994  0.427  1.0
  Mg  Mg4  1  0.750  0.158  0.222  1.0
  Mn  Mn5  1  0.250  0.992  0.051  1.0
  Mn  Mn6  1  0.750  0.922  0.839  1.0
  Mn  Mn7  1  0.750  0.490  0.413  1.0
  Mn  Mn8  1  0.250  0.550  0.616  1.0
  O  O9  1  0.750  0.848  0.143  1.0
  O  O10  1  0.250  0.132  0.817  1.0
  O  O11  1  0.250  0.263  0.319  1.0
  O  O12  1  0.750  0.738  0.684  1.0
  O  O13  1  0.750  0.263  0.078  1.0
  O  O14  1  0.250  0.763  0.904  1.0
  O  O15  1  0.750  0.331  0.564  1.0
  O  O16  1  0.250  0.723  0.472  1.0
[/CIF]
.