The compound described by Na3MgVO4 is Chalcostibite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with four equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to two equivalent Na(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Na3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   5.555
_cell_length_c   5.515
_cell_angle_alpha   119.581
_cell_angle_beta   126.637
_cell_angle_gamma   90.942
_symmetry_Int_Tables_number   1
_cell_volume   127.734
_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  0.316  0.429  0.000  1.0
  Na  Na1  1  0.738  0.197  0.407  1.0
  Na  Na2  1  0.331  0.790  0.593  1.0
  Mg  Mg3  1  0.761  0.518  0.000  1.0
  V  V4  1  0.025  0.007  0.000  1.0
  O  O5  1  0.764  0.160  0.000  1.0
  O  O6  1  0.400  0.355  0.471  1.0
  O  O7  1  0.930  0.885  0.529  1.0
  O  O8  1  0.037  0.659  0.000  1.0
[/CIF]
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The compound described by Na3MgVO4 is Chalcostibite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with four equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to two equivalent Na(2), one Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Na3MgVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   5.555
_cell_length_c   5.515
_cell_angle_alpha   119.581
_cell_angle_beta   126.637
_cell_angle_gamma   90.942
_symmetry_Int_Tables_number   1
_cell_volume   127.734
_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  0.316  0.429  0.000  1.0
  Na  Na1  1  0.738  0.197  0.407  1.0
  Na  Na2  1  0.331  0.790  0.593  1.0
  Mg  Mg3  1  0.761  0.518  0.000  1.0
  V  V4  1  0.025  0.007  0.000  1.0
  O  O5  1  0.764  0.160  0.000  1.0
  O  O6  1  0.400  0.355  0.471  1.0
  O  O7  1  0.930  0.885  0.529  1.0
  O  O8  1  0.037  0.659  0.000  1.0
[/CIF]
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