#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/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
loop_
_publ_author_name
'Scheikowski, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Zur Kristallstruktur der Blei-Lanthanoid-Oxoaluminate. Zur Kenntnis von
Pb2 Ho Al3 O8 und Pb2 Lu Al3 O8
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1755
_journal_page_last               1758
_journal_paper_doi               10.1002/zaac.19936191022
_journal_volume                  619
_journal_year                    1993
_chemical_formula_structural     'Pb2 Lu (Al3 O8)'
_chemical_formula_sum            'Al3 Lu O8 Pb2'
_chemical_name_systematic        'Dilead lutetium trialuminate'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4bc 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3486(8)
_cell_length_b                   9.3486(8)
_cell_length_c                   9.3486(8)
_cell_volume                     817.0
_refine_ls_R_factor_all          0.086
_cod_original_sg_symbol_H-M      'P n -3 m Z'
_cod_database_code               2002656
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Lu3+ 3.000
Al3+ 3.000
O2- -2.000
