The material described by Na2MgV2Cd2O8 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. Mg(1) is bonded in a distorted linear geometry to two equivalent O(3) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one V(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Cd(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Na(1), one Mg(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgV2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.863
_cell_length_c   7.590
_cell_angle_alpha   88.452
_cell_angle_beta   91.548
_cell_angle_gamma   116.178
_symmetry_Int_Tables_number   1
_cell_volume   233.993
_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  0.280  0.720  0.262  1.0
  Na  Na1  1  0.720  0.280  0.738  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.355  0.645  0.711  1.0
  V  V4  1  0.645  0.355  0.289  1.0
  Cd  Cd5  1  0.000  0.000  0.500  1.0
  Cd  Cd6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.756  0.687  0.291  1.0
  O  O8  1  0.244  0.313  0.709  1.0
  O  O9  1  0.687  0.756  0.709  1.0
  O  O10  1  0.313  0.244  0.291  1.0
  O  O11  1  0.225  0.775  0.555  1.0
  O  O12  1  0.692  0.308  0.065  1.0
  O  O13  1  0.308  0.692  0.935  1.0
  O  O14  1  0.775  0.225  0.445  1.0
[/CIF]
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The material described by Na2MgV2Cd2O8 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. Mg(1) is bonded in a distorted linear geometry to two equivalent O(3) atoms. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CdO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one V(1), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Cd(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Na(1), one Mg(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgV2Cd2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.863
_cell_length_c   7.590
_cell_angle_alpha   88.452
_cell_angle_beta   91.548
_cell_angle_gamma   116.178
_symmetry_Int_Tables_number   1
_cell_volume   233.993
_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  0.280  0.720  0.262  1.0
  Na  Na1  1  0.720  0.280  0.738  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.355  0.645  0.711  1.0
  V  V4  1  0.645  0.355  0.289  1.0
  Cd  Cd5  1  0.000  0.000  0.500  1.0
  Cd  Cd6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.756  0.687  0.291  1.0
  O  O8  1  0.244  0.313  0.709  1.0
  O  O9  1  0.687  0.756  0.709  1.0
  O  O10  1  0.313  0.244  0.291  1.0
  O  O11  1  0.225  0.775  0.555  1.0
  O  O12  1  0.692  0.308  0.065  1.0
  O  O13  1  0.308  0.692  0.935  1.0
  O  O14  1  0.775  0.225  0.445  1.0
[/CIF]
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