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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/39/1533961.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_1533961
loop_
_publ_author_name
'Park Hyun-Soo'
'Barbier, J.'
'Hammond, R.P.'
_publ_section_title
;
 Crystal structure and polymorphism of Pb Al B O4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              565
_journal_page_last               571
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Al B O4 Pb'
_chemical_name_systematic        'Pb (Al B O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9209
_cell_length_b                   5.7134
_cell_length_c                   8.0215
_cell_volume                     317.185
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            ParkHyun-Soo_SSSCFJ_2003_1019.cif
_cod_data_source_block           Al1B1O4Pb1
_cod_original_cell_volume        317.1851
_cod_original_formula_sum        'Al1 B1 O4 Pb1'
_cod_database_code               1533961
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.0998 0.75 0.8885 1 0.0
B1 B+3 0.7701 0.25 0.7415 1 0.0
Al1 Al+3 0 0 0 1 0.0
Pb1 Pb+2 0.0623 0.25 0.3619 1 0.0
O3 O-2 0.8331 0.75 0.0961 1 0.0
O2 O-2 0.1722 -0.0436 0.1844 1 0.0
