The material described by Na4MgLa(PO4)3 crystallizes in the trigonal R3c 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(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. La(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted LaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-41°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom to form distorted face-sharing ONa3MgP trigonal bipyramids. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), one La(1), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na4LaMg(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.254
_cell_length_b   9.254
_cell_length_c   9.254
_cell_angle_alpha   61.817
_cell_angle_beta   61.817
_cell_angle_gamma   61.817
_symmetry_Int_Tables_number   1
_cell_volume   583.254
_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
  La  La0  1  0.657  0.657  0.657  1.0
  La  La1  1  0.157  0.157  0.157  1.0
  Mg  Mg2  1  0.348  0.348  0.348  1.0
  Mg  Mg3  1  0.848  0.848  0.848  1.0
  Na  Na4  1  0.886  0.625  0.232  1.0
  Na  Na5  1  0.625  0.232  0.886  1.0
  Na  Na6  1  0.232  0.886  0.625  1.0
  Na  Na7  1  0.386  0.732  0.125  1.0
  Na  Na8  1  0.732  0.125  0.386  1.0
  Na  Na9  1  0.125  0.386  0.732  1.0
  Na  Na10  1  0.492  0.492  0.492  1.0
  Na  Na11  1  0.992  0.992  0.992  1.0
  O  O12  1  0.519  0.113  0.282  1.0
  O  O13  1  0.113  0.282  0.519  1.0
  O  O14  1  0.282  0.519  0.113  1.0
  O  O15  1  0.019  0.782  0.613  1.0
  O  O16  1  0.782  0.613  0.019  1.0
  O  O17  1  0.613  0.019  0.782  1.0
  O  O18  1  0.459  0.916  0.702  1.0
  O  O19  1  0.916  0.702  0.459  1.0
  O  O20  1  0.702  0.459  0.916  1.0
  O  O21  1  0.959  0.202  0.416  1.0
  O  O22  1  0.202  0.416  0.959  1.0
  O  O23  1  0.416  0.959  0.202  1.0
  O  O24  1  0.441  0.232  0.574  1.0
  O  O25  1  0.232  0.574  0.441  1.0
  O  O26  1  0.574  0.441  0.232  1.0
  O  O27  1  0.941  0.074  0.732  1.0
  O  O28  1  0.074  0.732  0.941  1.0
  O  O29  1  0.732  0.941  0.074  1.0
  O  O30  1  0.602  0.777  0.387  1.0
  O  O31  1  0.777  0.387  0.602  1.0
  O  O32  1  0.387  0.602  0.777  1.0
  O  O33  1  0.102  0.887  0.277  1.0
  O  O34  1  0.887  0.277  0.102  1.0
  O  O35  1  0.277  0.102  0.887  1.0
  P  P36  1  0.568  0.950  0.236  1.0
  P  P37  1  0.950  0.236  0.568  1.0
  P  P38  1  0.236  0.568  0.950  1.0
  P  P39  1  0.068  0.736  0.450  1.0
  P  P40  1  0.736  0.450  0.068  1.0
  P  P41  1  0.450  0.068  0.736  1.0
[/CIF]
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The material described by Na4MgLa(PO4)3 crystallizes in the trigonal R3c 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(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. La(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted LaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-41°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one P(1) atom to form distorted face-sharing ONa3MgP trigonal bipyramids. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), one La(1), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na4LaMg(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.254
_cell_length_b   9.254
_cell_length_c   9.254
_cell_angle_alpha   61.817
_cell_angle_beta   61.817
_cell_angle_gamma   61.817
_symmetry_Int_Tables_number   1
_cell_volume   583.254
_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
  La  La0  1  0.657  0.657  0.657  1.0
  La  La1  1  0.157  0.157  0.157  1.0
  Mg  Mg2  1  0.348  0.348  0.348  1.0
  Mg  Mg3  1  0.848  0.848  0.848  1.0
  Na  Na4  1  0.886  0.625  0.232  1.0
  Na  Na5  1  0.625  0.232  0.886  1.0
  Na  Na6  1  0.232  0.886  0.625  1.0
  Na  Na7  1  0.386  0.732  0.125  1.0
  Na  Na8  1  0.732  0.125  0.386  1.0
  Na  Na9  1  0.125  0.386  0.732  1.0
  Na  Na10  1  0.492  0.492  0.492  1.0
  Na  Na11  1  0.992  0.992  0.992  1.0
  O  O12  1  0.519  0.113  0.282  1.0
  O  O13  1  0.113  0.282  0.519  1.0
  O  O14  1  0.282  0.519  0.113  1.0
  O  O15  1  0.019  0.782  0.613  1.0
  O  O16  1  0.782  0.613  0.019  1.0
  O  O17  1  0.613  0.019  0.782  1.0
  O  O18  1  0.459  0.916  0.702  1.0
  O  O19  1  0.916  0.702  0.459  1.0
  O  O20  1  0.702  0.459  0.916  1.0
  O  O21  1  0.959  0.202  0.416  1.0
  O  O22  1  0.202  0.416  0.959  1.0
  O  O23  1  0.416  0.959  0.202  1.0
  O  O24  1  0.441  0.232  0.574  1.0
  O  O25  1  0.232  0.574  0.441  1.0
  O  O26  1  0.574  0.441  0.232  1.0
  O  O27  1  0.941  0.074  0.732  1.0
  O  O28  1  0.074  0.732  0.941  1.0
  O  O29  1  0.732  0.941  0.074  1.0
  O  O30  1  0.602  0.777  0.387  1.0
  O  O31  1  0.777  0.387  0.602  1.0
  O  O32  1  0.387  0.602  0.777  1.0
  O  O33  1  0.102  0.887  0.277  1.0
  O  O34  1  0.887  0.277  0.102  1.0
  O  O35  1  0.277  0.102  0.887  1.0
  P  P36  1  0.568  0.950  0.236  1.0
  P  P37  1  0.950  0.236  0.568  1.0
  P  P38  1  0.236  0.568  0.950  1.0
  P  P39  1  0.068  0.736  0.450  1.0
  P  P40  1  0.736  0.450  0.068  1.0
  P  P41  1  0.450  0.068  0.736  1.0
[/CIF]
.