The material described by Ba2PaErO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pa(1)O6 octahedra, and faces with four equivalent Er(1)O6 octahedra. Pa(1) is bonded to six equivalent O(1) atoms to form PaO6 octahedra that share corners with six equivalent Er(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Er(1) is bonded to six equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent Pa(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Pa(1), and one Er(1) atom. is represented by the CIF card [CIF]
data_Ba2ErPaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   171.960
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Er  Er2  1  0.500  0.500  0.500  1.0
  Pa  Pa3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.753  0.753  0.247  1.0
  O  O5  1  0.247  0.247  0.753  1.0
  O  O6  1  0.753  0.247  0.753  1.0
  O  O7  1  0.247  0.753  0.247  1.0
  O  O8  1  0.247  0.753  0.753  1.0
  O  O9  1  0.753  0.247  0.247  1.0
[/CIF]
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The material described by Ba2PaErO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pa(1)O6 octahedra, and faces with four equivalent Er(1)O6 octahedra. Pa(1) is bonded to six equivalent O(1) atoms to form PaO6 octahedra that share corners with six equivalent Er(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Er(1) is bonded to six equivalent O(1) atoms to form ErO6 octahedra that share corners with six equivalent Pa(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Pa(1), and one Er(1) atom. is represented by the CIF card [CIF]
data_Ba2ErPaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.242
_cell_length_b   6.242
_cell_length_c   6.242
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   171.960
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Er  Er2  1  0.500  0.500  0.500  1.0
  Pa  Pa3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.753  0.753  0.247  1.0
  O  O5  1  0.247  0.247  0.753  1.0
  O  O6  1  0.753  0.247  0.753  1.0
  O  O7  1  0.247  0.753  0.247  1.0
  O  O8  1  0.247  0.753  0.753  1.0
  O  O9  1  0.753  0.247  0.247  1.0
[/CIF]
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