The material structure described by NaLaO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent La(1)O6 octahedra, and edges with four equivalent La(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent La(2)O6 octahedra, and edges with four equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent La(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent La(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second La site, La(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(1)O6 octahedra, edges with two equivalent La(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent La(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one La(1), and two equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing ONa3La3 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one La(2), and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing ONa3La3 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   6.443
_cell_angle_alpha   76.269
_cell_angle_beta   76.269
_cell_angle_gamma   127.457
_symmetry_Int_Tables_number   1
_cell_volume   266.611
_cell_formula_units_Z   4
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  0.195  0.805  0.750  1.0
  Na  Na1  1  0.569  0.431  0.250  1.0
  Na  Na2  1  0.431  0.569  0.750  1.0
  Na  Na3  1  0.805  0.195  0.250  1.0
  La  La4  1  0.057  0.943  0.250  1.0
  La  La5  1  0.318  0.682  0.250  1.0
  La  La6  1  0.682  0.318  0.750  1.0
  La  La7  1  0.943  0.057  0.750  1.0
  O  O8  1  0.070  0.443  0.703  1.0
  O  O9  1  0.165  0.289  0.297  1.0
  O  O10  1  0.711  0.835  0.203  1.0
  O  O11  1  0.443  0.070  0.203  1.0
  O  O12  1  0.557  0.930  0.797  1.0
  O  O13  1  0.289  0.165  0.797  1.0
  O  O14  1  0.835  0.711  0.703  1.0
  O  O15  1  0.930  0.557  0.297  1.0
[/CIF]
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The material structure described by NaLaO2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent La(1)O6 octahedra, and edges with four equivalent La(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Na site, Na(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent La(2)O6 octahedra, and edges with four equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(2)O6 octahedra, edges with two equivalent La(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent La(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second La site, La(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent La(1)O6 octahedra, edges with two equivalent La(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent La(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), one La(1), and two equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing ONa3La3 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one La(2), and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing ONa3La3 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.859
_cell_length_b   7.859
_cell_length_c   6.443
_cell_angle_alpha   76.269
_cell_angle_beta   76.269
_cell_angle_gamma   127.457
_symmetry_Int_Tables_number   1
_cell_volume   266.611
_cell_formula_units_Z   4
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  0.195  0.805  0.750  1.0
  Na  Na1  1  0.569  0.431  0.250  1.0
  Na  Na2  1  0.431  0.569  0.750  1.0
  Na  Na3  1  0.805  0.195  0.250  1.0
  La  La4  1  0.057  0.943  0.250  1.0
  La  La5  1  0.318  0.682  0.250  1.0
  La  La6  1  0.682  0.318  0.750  1.0
  La  La7  1  0.943  0.057  0.750  1.0
  O  O8  1  0.070  0.443  0.703  1.0
  O  O9  1  0.165  0.289  0.297  1.0
  O  O10  1  0.711  0.835  0.203  1.0
  O  O11  1  0.443  0.070  0.203  1.0
  O  O12  1  0.557  0.930  0.797  1.0
  O  O13  1  0.289  0.165  0.797  1.0
  O  O14  1  0.835  0.711  0.703  1.0
  O  O15  1  0.930  0.557  0.297  1.0
[/CIF]
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