The crystal structure described by NaLaMgWO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one W(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent La(1), and one W(1) atom to form distorted edge-sharing OLa2MgW tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), one Mg(1), two equivalent La(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), and one W(1) atom. is represented by the CIF card [CIF]
data_NaLaMgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.605
_cell_length_b   5.605
_cell_length_c   7.958
_cell_angle_alpha   89.954
_cell_angle_beta   89.954
_cell_angle_gamma   90.615
_symmetry_Int_Tables_number   1
_cell_volume   250.006
_cell_formula_units_Z   2
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  0.247  0.753  0.500  1.0
  Na  Na1  1  0.753  0.247  0.500  1.0
  La  La2  1  0.754  0.246  0.000  1.0
  La  La3  1  0.246  0.754  0.000  1.0
  Mg  Mg4  1  0.252  0.252  0.744  1.0
  Mg  Mg5  1  0.748  0.748  0.256  1.0
  W  W6  1  0.752  0.752  0.738  1.0
  W  W7  1  0.248  0.248  0.262  1.0
  O  O8  1  0.698  0.698  0.510  1.0
  O  O9  1  0.491  0.491  0.188  1.0
  O  O10  1  0.991  0.506  0.771  1.0
  O  O11  1  0.991  0.991  0.707  1.0
  O  O12  1  0.193  0.193  0.006  1.0
  O  O13  1  0.009  0.009  0.293  1.0
  O  O14  1  0.807  0.807  0.994  1.0
  O  O15  1  0.506  0.991  0.771  1.0
  O  O16  1  0.302  0.302  0.490  1.0
  O  O17  1  0.009  0.494  0.229  1.0
  O  O18  1  0.494  0.009  0.229  1.0
  O  O19  1  0.509  0.509  0.812  1.0
[/CIF]
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The crystal structure described by NaLaMgWO6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one W(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent La(1), and one W(1) atom to form distorted edge-sharing OLa2MgW tetrahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Na(1), one Mg(1), two equivalent La(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Mg(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), and one W(1) atom. is represented by the CIF card [CIF]
data_NaLaMgWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.605
_cell_length_b   5.605
_cell_length_c   7.958
_cell_angle_alpha   89.954
_cell_angle_beta   89.954
_cell_angle_gamma   90.615
_symmetry_Int_Tables_number   1
_cell_volume   250.006
_cell_formula_units_Z   2
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  0.247  0.753  0.500  1.0
  Na  Na1  1  0.753  0.247  0.500  1.0
  La  La2  1  0.754  0.246  0.000  1.0
  La  La3  1  0.246  0.754  0.000  1.0
  Mg  Mg4  1  0.252  0.252  0.744  1.0
  Mg  Mg5  1  0.748  0.748  0.256  1.0
  W  W6  1  0.752  0.752  0.738  1.0
  W  W7  1  0.248  0.248  0.262  1.0
  O  O8  1  0.698  0.698  0.510  1.0
  O  O9  1  0.491  0.491  0.188  1.0
  O  O10  1  0.991  0.506  0.771  1.0
  O  O11  1  0.991  0.991  0.707  1.0
  O  O12  1  0.193  0.193  0.006  1.0
  O  O13  1  0.009  0.009  0.293  1.0
  O  O14  1  0.807  0.807  0.994  1.0
  O  O15  1  0.506  0.991  0.771  1.0
  O  O16  1  0.302  0.302  0.490  1.0
  O  O17  1  0.009  0.494  0.229  1.0
  O  O18  1  0.494  0.009  0.229  1.0
  O  O19  1  0.509  0.509  0.812  1.0
[/CIF]
.