#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002656.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2002656
_chemical_name_systematic          'Dilead lutetium trialuminate'
_chemical_formula_structural       'Pb2 Lu (Al3 O8)'
_chemical_formula_sum              'Al3 Lu O8 Pb2'
_publ_section_title
;
Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von
Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8
;
_space_group_IT_number           224
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_[local]_cod_cif_authors_sg_H-M  'P n -3 m Z'
loop_
_publ_author_name
  'Scheikowski, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    619
_journal_year                      1993
_journal_page_first                1755
_journal_page_last                 1758
_cell_length_a                     9.3486(8)
_cell_length_b                     9.3486(8)
_cell_length_c                     9.3486(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       817.0
_cell_formula_units_Z              4
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2-y,z'
  'x,z,y'
  'x,1/2-z,1/2-y'
  '1/2-x,z,1/2-y'
  '1/2-x,1/2-z,y'
  'y,z,x'
  '1/2-y,1/2-z,x'
  'y,1/2-z,1/2-x'
  '1/2-y,z,1/2-x'
  'z,y,x'
  '1/2-z,1/2-y,x'
  'z,1/2-y,1/2-x'
  '1/2-z,y,1/2-x'
  'z,x,y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2-x,y'
  'z,1/2-x,1/2-y'
  'y,x,z'
  '1/2-y,x,1/2-z'
  '1/2-y,1/2-x,z'
  'y,1/2-x,1/2-z'
  '-x,-y,-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2+y,-z'
  '-x,-z,-y'
  '-x,1/2+z,1/2+y'
  '1/2+x,-z,1/2+y'
  '1/2+x,1/2+z,-y'
  '-y,-z,-x'
  '1/2+y,1/2+z,-x'
  '-y,1/2+z,1/2+x'
  '1/2+y,-z,1/2+x'
  '-z,-y,-x'
  '1/2+z,1/2+y,-x'
  '-z,1/2+y,1/2+x'
  '1/2+z,-y,1/2+x'
  '-z,-x,-y'
  '1/2+z,-x,1/2+y'
  '1/2+z,1/2+x,-y'
  '-z,1/2+x,1/2+y'
  '-y,-x,-z'
  '1/2+y,-x,1/2+z'
  '1/2+y,1/2+x,-z'
  '-y,1/2+x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Lu3+   3.000
  Al3+   3.000
  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
  Pb1   Pb2+   8 e 0.3850(2) 0.3850(2) 0.3850(2) 1.  0 d
  Lu1   Lu3+   4 b 0.5 0.5 0. 1.  0 d
  Al1   Al3+  12 f 0.25 0.75 0. 1.  0 d
  O1    O2-    8 e 0.867(3) 0.867(3) 0.867(3) 1.  0 d
  O2    O2-   24 k 0.223(4) 0.597(3) 0.597(3) 1.  0 d
_refine_ls_R_factor_all            0.086
_cod_database_code 2002656
_journal_paper_doi 10.1002/zaac.19936191022