The material structure described by Na3Mg(CoO2)5 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form distorted edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to one O(10), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. In the fifth Co site, Co(5) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Co(1), one Co(2), and one Co(4) atom to form ONa2Co3 square pyramids that share  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(8)Na2MgCo3 octahedra, edges with two equivalent O(4)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(3)Na2Co3 trigonal bipyramid, and edges with two equivalent O(7)Na2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Co(1), one Co(2), and one Co(5) atom to form ONa2Co3 square pyramids that share  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra,  an edgeedge with one O(8)Na2MgCo3 octahedra,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid,  an edgeedge with one O(7)Na2Co3 trigonal bipyramid,  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid, and edges with two equivalent O(3)Na2Co3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Na(3), one Co(1), one Co(2), and one Co(5) atom to form distorted ONa2Co3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid, edges with two equivalent O(2)Na2Co3 square pyramids,  an edgeedge with one O(7)Na2Co3 trigonal bipyramid, and  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-48°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form ONa2MgCo3 octahedra that share corners with two equivalent O(3)Na2Co3 trigonal bipyramids, corners with two equivalent O(7)Na2Co3 trigonal bipyramids, corners with two equivalent O(10)NaMgCo3 trigonal bipyramids, edges with two equivalent O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid, edges with two equivalent O(1)Na2Co3 square pyramids, and  an edgeedge with one O(7)Na2Co3 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded to one Na(3), one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form distorted ONaMgCo3 square pyramids that share  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra, edges with two equivalent O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(3)Na2Co3 trigonal bipyramid, and edges with two equivalent O(10)NaMgCo3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Co(1), one Co(2), and one Co(4) atom to form distorted ONa2Co3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(1)Na2Co3 square pyramids, and  an edgeedge with one O(3)Na2Co3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-52°. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Mg(1), one Co(3), one Co(4), and one Co(5) atom to form ONa2MgCo3 octahedra that share corners with two equivalent O(3)Na2Co3 trigonal bipyramids, corners with two equivalent O(7)Na2Co3 trigonal bipyramids, corners with two equivalent O(10)NaMgCo3 trigonal bipyramids, edges with two equivalent O(4)Na2MgCo3 octahedra,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(6)NaMgCo3 square pyramids, and  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Mg(1), one Co(3), one Co(4), and one Co(5) atom. In the tenth O site, O(10) is bonded to one Na(3), one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form distorted ONaMgCo3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  an edgeedge with one O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(6)NaMgCo3 square pyramids, and  an edgeedge with one O(3)Na2Co3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-52°. is represented by the CIF file [CIF]
data_Na3Mg(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   7.992
_cell_length_c   5.121
_cell_angle_alpha   71.651
_cell_angle_beta   71.810
_cell_angle_gamma   84.169
_symmetry_Int_Tables_number   1
_cell_volume   208.407
_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  0.187  0.576  1.0
  Na  Na1  1  0.494  0.380  0.975  1.0
  Na  Na2  1  0.493  0.819  0.767  1.0
  Mg  Mg3  1  0.508  0.610  0.363  1.0
  Co  Co4  1  0.968  0.005  0.007  1.0
  Co  Co5  1  0.010  0.201  0.394  1.0
  Co  Co6  1  0.018  0.597  0.194  1.0
  Co  Co7  1  0.996  0.409  0.798  1.0
  Co  Co8  1  0.015  0.801  0.587  1.0
  O  O9  1  0.179  0.208  0.005  1.0
  O  O10  1  0.182  0.998  0.630  1.0
  O  O11  1  0.807  0.997  0.396  1.0
  O  O12  1  0.223  0.415  0.387  1.0
  O  O13  1  0.785  0.415  0.204  1.0
  O  O14  1  0.227  0.781  0.224  1.0
  O  O15  1  0.807  0.214  0.776  1.0
  O  O16  1  0.225  0.595  0.774  1.0
  O  O17  1  0.786  0.602  0.588  1.0
  O  O18  1  0.804  0.781  0.008  1.0
[/CIF]
.
The material structure described by Na3Mg(CoO2)5 crystallizes in the triclinic P1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form distorted edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to one O(10), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. In the fifth Co site, Co(5) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form edge-sharing CoO6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Co(1), one Co(2), and one Co(4) atom to form ONa2Co3 square pyramids that share  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(8)Na2MgCo3 octahedra, edges with two equivalent O(4)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(3)Na2Co3 trigonal bipyramid, and edges with two equivalent O(7)Na2Co3 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Co(1), one Co(2), and one Co(5) atom to form ONa2Co3 square pyramids that share  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra,  an edgeedge with one O(8)Na2MgCo3 octahedra,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid,  an edgeedge with one O(7)Na2Co3 trigonal bipyramid,  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid, and edges with two equivalent O(3)Na2Co3 trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), one Na(3), one Co(1), one Co(2), and one Co(5) atom to form distorted ONa2Co3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid, edges with two equivalent O(2)Na2Co3 square pyramids,  an edgeedge with one O(7)Na2Co3 trigonal bipyramid, and  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-48°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form ONa2MgCo3 octahedra that share corners with two equivalent O(3)Na2Co3 trigonal bipyramids, corners with two equivalent O(7)Na2Co3 trigonal bipyramids, corners with two equivalent O(10)NaMgCo3 trigonal bipyramids, edges with two equivalent O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(6)NaMgCo3 square pyramid, edges with two equivalent O(1)Na2Co3 square pyramids, and  an edgeedge with one O(7)Na2Co3 trigonal bipyramid. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded to one Na(3), one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form distorted ONaMgCo3 square pyramids that share  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra, edges with two equivalent O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid,  an edgeedge with one O(3)Na2Co3 trigonal bipyramid, and edges with two equivalent O(10)NaMgCo3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Co(1), one Co(2), and one Co(4) atom to form distorted ONa2Co3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(10)NaMgCo3 trigonal bipyramid,  an edgeedge with one O(4)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(1)Na2Co3 square pyramids, and  an edgeedge with one O(3)Na2Co3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-52°. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Mg(1), one Co(3), one Co(4), and one Co(5) atom to form ONa2MgCo3 octahedra that share corners with two equivalent O(3)Na2Co3 trigonal bipyramids, corners with two equivalent O(7)Na2Co3 trigonal bipyramids, corners with two equivalent O(10)NaMgCo3 trigonal bipyramids, edges with two equivalent O(4)Na2MgCo3 octahedra,  an edgeedge with one O(1)Na2Co3 square pyramid,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(6)NaMgCo3 square pyramids, and  an edgeedge with one O(10)NaMgCo3 trigonal bipyramid. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), one Mg(1), one Co(3), one Co(4), and one Co(5) atom. In the tenth O site, O(10) is bonded to one Na(3), one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form distorted ONaMgCo3 trigonal bipyramids that share corners with two equivalent O(4)Na2MgCo3 octahedra, corners with two equivalent O(8)Na2MgCo3 octahedra,  a cornercorner with one O(1)Na2Co3 square pyramid,  a cornercorner with one O(2)Na2Co3 square pyramid,  a cornercorner with one O(6)NaMgCo3 square pyramid,  a cornercorner with one O(3)Na2Co3 trigonal bipyramid,  a cornercorner with one O(7)Na2Co3 trigonal bipyramid,  an edgeedge with one O(8)Na2MgCo3 octahedra,  an edgeedge with one O(2)Na2Co3 square pyramid, edges with two equivalent O(6)NaMgCo3 square pyramids, and  an edgeedge with one O(3)Na2Co3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-52°. is represented by the CIF file [CIF]
data_Na3Mg(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   7.992
_cell_length_c   5.121
_cell_angle_alpha   71.651
_cell_angle_beta   71.810
_cell_angle_gamma   84.169
_symmetry_Int_Tables_number   1
_cell_volume   208.407
_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  0.187  0.576  1.0
  Na  Na1  1  0.494  0.380  0.975  1.0
  Na  Na2  1  0.493  0.819  0.767  1.0
  Mg  Mg3  1  0.508  0.610  0.363  1.0
  Co  Co4  1  0.968  0.005  0.007  1.0
  Co  Co5  1  0.010  0.201  0.394  1.0
  Co  Co6  1  0.018  0.597  0.194  1.0
  Co  Co7  1  0.996  0.409  0.798  1.0
  Co  Co8  1  0.015  0.801  0.587  1.0
  O  O9  1  0.179  0.208  0.005  1.0
  O  O10  1  0.182  0.998  0.630  1.0
  O  O11  1  0.807  0.997  0.396  1.0
  O  O12  1  0.223  0.415  0.387  1.0
  O  O13  1  0.785  0.415  0.204  1.0
  O  O14  1  0.227  0.781  0.224  1.0
  O  O15  1  0.807  0.214  0.776  1.0
  O  O16  1  0.225  0.595  0.774  1.0
  O  O17  1  0.786  0.602  0.588  1.0
  O  O18  1  0.804  0.781  0.008  1.0
[/CIF]
.