data_2002337
_chemical_name_systematic
;
Neodymium magnesium aluminium oxide (1/1/11/19)
;
_chemical_formula_structural       'Nd Mg Al11 O19'
_chemical_formula_sum              'Al11 Mg Nd O19'
_publ_section_title
;
Ein Beitrag zur Kristallchemie der Lanthanoidmagnetoplumbite
;
loop_
_publ_author_name
  'Brandt, R'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    510
_journal_year                      1984
_journal_page_first                163
_journal_page_last                 168
_cell_length_a                     5.595
_cell_length_b                     5.595
_cell_length_c                     21.82999
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       591.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nd3+   3.000
  Al3+   3.000
  Mg2+   2.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Nd1   Nd3+   2 d 0.3333 0.6667 0.75 1.  0 d
  Al1   Al3+   2 a 0. 0. 0. 1.  0 d
  Al2   Al3+   2 b 0. 0. 0.25 1.  0 d
  Al3   Al3+   4 f 0.3333 0.6667 0.0273(2) 0.5  0 d
  Mg1   Mg2+   4 f 0.3333 0.6667 0.0273(2) 0.5  0 d
  Al4   Al3+   4 f 0.3333 0.6667 0.1895(4) 1.  0 d
  Al5   Al3+  12 k 0.1703(11) 0.3405(22) 0.8914(2) 1.  0 d
  O1    O2-    4 e 0. 0. 0.150(1) 1.  0 d
  O2    O2-    4 f 0.3333 0.6667 0.939(1) 1.  0 d
  O3    O2-    6 h 0.185(3) 0.370(6) 0.25 1.  0 d
  O4    O2-   12 k 0.151(2) 0.302(4) 0.053(1) 1.  0 d
  O5    O2-   12 k 0.506(2) 0.012(4) 0.152(1) 1.  0 d
_refine_ls_R_factor_all            0.086