The material structure described by Na4MgV4O10 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a 4-coordinate geometry to one Na(1), one O(10), one O(2), one O(5), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(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 distorted VO6 octahedra that share corners with four equivalent V(2)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-29°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-29°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and corners with two equivalent V(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 35-38°. In the fourth V site, V(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form distorted VO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom to form distorted corner-sharing ONa4V2 octahedra. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded to one Na(2), one Na(3), one Mg(1), one V(3), and one V(4) atom to form distorted corner-sharing ONa2MgV2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-90°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.663
_cell_length_c   8.633
_cell_angle_alpha   110.175
_cell_angle_beta   111.355
_cell_angle_gamma   90.813
_symmetry_Int_Tables_number   1
_cell_volume   238.225
_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  0.706  0.147  0.176  1.0
  Na  Na1  1  0.396  0.860  0.786  1.0
  Na  Na2  1  0.098  0.552  0.206  1.0
  Na  Na3  1  0.904  0.419  0.795  1.0
  Mg  Mg4  1  0.425  0.020  0.307  1.0
  V  V5  1  0.013  0.001  0.988  1.0
  V  V6  1  0.514  0.496  0.998  1.0
  V  V7  1  0.162  0.175  0.517  1.0
  V  V8  1  0.711  0.791  0.506  1.0
  O  O9  1  0.256  0.233  0.989  1.0
  O  O10  1  0.326  0.792  0.061  1.0
  O  O11  1  0.751  0.233  0.955  1.0
  O  O12  1  0.803  0.768  0.006  1.0
  O  O13  1  0.147  0.208  0.293  1.0
  O  O14  1  0.904  0.792  0.720  1.0
  O  O15  1  0.688  0.570  0.299  1.0
  O  O16  1  0.330  0.429  0.731  1.0
  O  O17  1  0.797  0.097  0.475  1.0
  O  O18  1  0.371  0.881  0.481  1.0
[/CIF]
.
The material structure described by Na4MgV4O10 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a 4-coordinate geometry to one Na(1), one O(10), one O(2), one O(5), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(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 distorted VO6 octahedra that share corners with four equivalent V(2)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-29°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, and  a cornercorner with one V(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 2-29°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and corners with two equivalent V(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 35-38°. In the fourth V site, V(4) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form distorted VO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom to form distorted corner-sharing ONa4V2 octahedra. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Mg(1), one V(1), and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one V(1), and one V(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one V(2), and one V(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded to one Na(2), one Na(3), one Mg(1), one V(3), and one V(4) atom to form distorted corner-sharing ONa2MgV2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-90°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MgV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.647
_cell_length_b   5.663
_cell_length_c   8.633
_cell_angle_alpha   110.175
_cell_angle_beta   111.355
_cell_angle_gamma   90.813
_symmetry_Int_Tables_number   1
_cell_volume   238.225
_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  0.706  0.147  0.176  1.0
  Na  Na1  1  0.396  0.860  0.786  1.0
  Na  Na2  1  0.098  0.552  0.206  1.0
  Na  Na3  1  0.904  0.419  0.795  1.0
  Mg  Mg4  1  0.425  0.020  0.307  1.0
  V  V5  1  0.013  0.001  0.988  1.0
  V  V6  1  0.514  0.496  0.998  1.0
  V  V7  1  0.162  0.175  0.517  1.0
  V  V8  1  0.711  0.791  0.506  1.0
  O  O9  1  0.256  0.233  0.989  1.0
  O  O10  1  0.326  0.792  0.061  1.0
  O  O11  1  0.751  0.233  0.955  1.0
  O  O12  1  0.803  0.768  0.006  1.0
  O  O13  1  0.147  0.208  0.293  1.0
  O  O14  1  0.904  0.792  0.720  1.0
  O  O15  1  0.688  0.570  0.299  1.0
  O  O16  1  0.330  0.429  0.731  1.0
  O  O17  1  0.797  0.097  0.475  1.0
  O  O18  1  0.371  0.881  0.481  1.0
[/CIF]
.