The material described by NaLa(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(6), one O(8), two equivalent O(4), and two equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLa(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.498
_cell_length_b   6.842
_cell_length_c   7.166
_cell_angle_alpha   86.527
_cell_angle_beta   88.878
_cell_angle_gamma   78.212
_symmetry_Int_Tables_number   1
_cell_volume   311.258
_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  0.423  0.781  0.345  1.0
  Na  Na1  1  0.577  0.219  0.655  1.0
  La  La2  1  0.119  0.730  0.823  1.0
  La  La3  1  0.881  0.270  0.177  1.0
  S  S4  1  0.902  0.796  0.322  1.0
  S  S5  1  0.620  0.704  0.838  1.0
  S  S6  1  0.098  0.204  0.678  1.0
  S  S7  1  0.380  0.296  0.162  1.0
  O  O8  1  0.064  0.745  0.470  1.0
  O  O9  1  0.198  0.377  0.705  1.0
  O  O10  1  0.801  0.544  0.909  1.0
  O  O11  1  0.737  0.973  0.365  1.0
  O  O12  1  0.936  0.255  0.530  1.0
  O  O13  1  0.509  0.628  0.686  1.0
  O  O14  1  0.263  0.027  0.635  1.0
  O  O15  1  0.199  0.456  0.091  1.0
  O  O16  1  0.461  0.762  0.987  1.0
  O  O17  1  0.006  0.859  0.144  1.0
  O  O18  1  0.802  0.623  0.295  1.0
  O  O19  1  0.280  0.129  0.230  1.0
  O  O20  1  0.994  0.141  0.856  1.0
  O  O21  1  0.491  0.372  0.314  1.0
  O  O22  1  0.539  0.238  0.013  1.0
  O  O23  1  0.720  0.871  0.770  1.0
[/CIF]
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The material described by NaLa(SO4)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(6), one O(8), two equivalent O(4), and two equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLa(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.498
_cell_length_b   6.842
_cell_length_c   7.166
_cell_angle_alpha   86.527
_cell_angle_beta   88.878
_cell_angle_gamma   78.212
_symmetry_Int_Tables_number   1
_cell_volume   311.258
_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  0.423  0.781  0.345  1.0
  Na  Na1  1  0.577  0.219  0.655  1.0
  La  La2  1  0.119  0.730  0.823  1.0
  La  La3  1  0.881  0.270  0.177  1.0
  S  S4  1  0.902  0.796  0.322  1.0
  S  S5  1  0.620  0.704  0.838  1.0
  S  S6  1  0.098  0.204  0.678  1.0
  S  S7  1  0.380  0.296  0.162  1.0
  O  O8  1  0.064  0.745  0.470  1.0
  O  O9  1  0.198  0.377  0.705  1.0
  O  O10  1  0.801  0.544  0.909  1.0
  O  O11  1  0.737  0.973  0.365  1.0
  O  O12  1  0.936  0.255  0.530  1.0
  O  O13  1  0.509  0.628  0.686  1.0
  O  O14  1  0.263  0.027  0.635  1.0
  O  O15  1  0.199  0.456  0.091  1.0
  O  O16  1  0.461  0.762  0.987  1.0
  O  O17  1  0.006  0.859  0.144  1.0
  O  O18  1  0.802  0.623  0.295  1.0
  O  O19  1  0.280  0.129  0.230  1.0
  O  O20  1  0.994  0.141  0.856  1.0
  O  O21  1  0.491  0.372  0.314  1.0
  O  O22  1  0.539  0.238  0.013  1.0
  O  O23  1  0.720  0.871  0.770  1.0
[/CIF]
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