The material described by Na2MgV2Cd2O8 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with six equivalent Cd(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-75°. Mg(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and edges with four equivalent Cd(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with six equivalent Cd(1)O6 octahedra, and  an edgeedge with one Na(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. Cd(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 CdO6 octahedra that share corners with three equivalent Na(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one V(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded to one Na(2), one V(1), and two equivalent Cd(1) atoms to form distorted corner-sharing ONaVCd2 tetrahedra. In the fourth O site, O(4) is bonded to one Na(1), one Mg(1), one V(2), and two equivalent Cd(1) atoms to form corner-sharing ONaMgVCd2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), one V(1), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Mg(1), one V(2), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgV2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.937
_cell_length_c   6.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.567
_symmetry_Int_Tables_number   1
_cell_volume   204.458
_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  0.147  0.470  0.250  1.0
  Na  Na1  1  0.695  0.346  0.750  1.0
  Mg  Mg2  1  0.521  0.952  0.250  1.0
  V  V3  1  0.386  0.668  0.750  1.0
  V  V4  1  0.655  0.412  0.250  1.0
  Cd  Cd5  1  0.011  0.011  0.502  1.0
  Cd  Cd6  1  0.011  0.011  0.998  1.0
  O  O7  1  0.739  0.754  0.250  1.0
  O  O8  1  0.267  0.349  0.750  1.0
  O  O9  1  0.725  0.772  0.750  1.0
  O  O10  1  0.302  0.173  0.250  1.0
  O  O11  1  0.287  0.768  0.525  1.0
  O  O12  1  0.769  0.238  0.052  1.0
  O  O13  1  0.287  0.768  0.975  1.0
  O  O14  1  0.769  0.238  0.448  1.0
[/CIF]
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The material described by Na2MgV2Cd2O8 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with six equivalent Cd(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-75°. Mg(1) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, and edges with four equivalent Cd(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with six equivalent Cd(1)O6 octahedra, and  an edgeedge with one Na(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second V site, V(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. Cd(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 CdO6 octahedra that share corners with three equivalent Na(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Cd(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent Cd(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one V(1), and two equivalent Cd(1) atoms. In the third O site, O(3) is bonded to one Na(2), one V(1), and two equivalent Cd(1) atoms to form distorted corner-sharing ONaVCd2 tetrahedra. In the fourth O site, O(4) is bonded to one Na(1), one Mg(1), one V(2), and two equivalent Cd(1) atoms to form corner-sharing ONaMgVCd2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), one V(1), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Mg(1), one V(2), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgV2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   5.937
_cell_length_c   6.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.567
_symmetry_Int_Tables_number   1
_cell_volume   204.458
_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  0.147  0.470  0.250  1.0
  Na  Na1  1  0.695  0.346  0.750  1.0
  Mg  Mg2  1  0.521  0.952  0.250  1.0
  V  V3  1  0.386  0.668  0.750  1.0
  V  V4  1  0.655  0.412  0.250  1.0
  Cd  Cd5  1  0.011  0.011  0.502  1.0
  Cd  Cd6  1  0.011  0.011  0.998  1.0
  O  O7  1  0.739  0.754  0.250  1.0
  O  O8  1  0.267  0.349  0.750  1.0
  O  O9  1  0.725  0.772  0.750  1.0
  O  O10  1  0.302  0.173  0.250  1.0
  O  O11  1  0.287  0.768  0.525  1.0
  O  O12  1  0.769  0.238  0.052  1.0
  O  O13  1  0.287  0.768  0.975  1.0
  O  O14  1  0.769  0.238  0.448  1.0
[/CIF]
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