The material structure described by NaDyO2 is Caswellsilverite-like structured and 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(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Dy(2)O6 octahedra, and edges with four equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Na site, Na(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with four equivalent Dy(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form DyO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Dy(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Dy(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Dy site, Dy(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form DyO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, edges with two equivalent Dy(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), one Dy(1), and two equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), one Dy(2), and two equivalent Dy(1) atoms to form a mixture of corner and edge-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. is represented by the CIF card [CIF]
data_NaDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   6.017
_cell_angle_alpha   59.732
_cell_angle_beta   120.268
_cell_angle_gamma   74.164
_symmetry_Int_Tables_number   1
_cell_volume   216.274
_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  0.694  0.694  0.750  1.0
  Na  Na1  1  0.930  0.930  0.750  1.0
  Na  Na2  1  0.070  0.070  0.250  1.0
  Na  Na3  1  0.306  0.306  0.250  1.0
  Dy  Dy4  1  0.183  0.183  0.750  1.0
  Dy  Dy5  1  0.443  0.443  0.750  1.0
  Dy  Dy6  1  0.817  0.817  0.250  1.0
  Dy  Dy7  1  0.557  0.557  0.250  1.0
  O  O8  1  0.208  0.668  0.749  1.0
  O  O9  1  0.437  0.936  0.793  1.0
  O  O10  1  0.332  0.792  0.249  1.0
  O  O11  1  0.064  0.563  0.293  1.0
  O  O12  1  0.936  0.437  0.707  1.0
  O  O13  1  0.668  0.208  0.751  1.0
  O  O14  1  0.563  0.064  0.207  1.0
  O  O15  1  0.792  0.332  0.251  1.0
[/CIF]
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The material structure described by NaDyO2 is Caswellsilverite-like structured and 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(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Dy(2)O6 octahedra, and edges with four equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Na site, Na(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with four equivalent Dy(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form DyO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(2)O6 octahedra, edges with two equivalent Dy(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with three equivalent Dy(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Dy site, Dy(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form DyO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Dy(1)O6 octahedra, edges with two equivalent Dy(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(2), one Dy(1), and two equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), one Dy(2), and two equivalent Dy(1) atoms to form a mixture of corner and edge-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. is represented by the CIF card [CIF]
data_NaDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.251
_cell_length_b   8.251
_cell_length_c   6.017
_cell_angle_alpha   59.732
_cell_angle_beta   120.268
_cell_angle_gamma   74.164
_symmetry_Int_Tables_number   1
_cell_volume   216.274
_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  0.694  0.694  0.750  1.0
  Na  Na1  1  0.930  0.930  0.750  1.0
  Na  Na2  1  0.070  0.070  0.250  1.0
  Na  Na3  1  0.306  0.306  0.250  1.0
  Dy  Dy4  1  0.183  0.183  0.750  1.0
  Dy  Dy5  1  0.443  0.443  0.750  1.0
  Dy  Dy6  1  0.817  0.817  0.250  1.0
  Dy  Dy7  1  0.557  0.557  0.250  1.0
  O  O8  1  0.208  0.668  0.749  1.0
  O  O9  1  0.437  0.936  0.793  1.0
  O  O10  1  0.332  0.792  0.249  1.0
  O  O11  1  0.064  0.563  0.293  1.0
  O  O12  1  0.936  0.437  0.707  1.0
  O  O13  1  0.668  0.208  0.751  1.0
  O  O14  1  0.563  0.064  0.207  1.0
  O  O15  1  0.792  0.332  0.251  1.0
[/CIF]
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