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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534402.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_1534402
loop_
_publ_author_name
'Garnier, P.'
'Gavarri, J.R.'
'Moreau, J.'
_publ_section_title
;
 Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par
 diffraction des neutrons
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              979
_journal_page_last               986
_journal_volume                  25
_journal_year                    1990
_chemical_formula_sum            'O1.063 Pb0.937 Ti0.063'
_chemical_name_systematic        'Pb.937 Ti.063 O1.063'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9658
_cell_length_b                   3.9658
_cell_length_c                   4.9771
_cell_volume                     78.278
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Garnier_MRBUAC_1990_1793.cif
_cod_data_source_block           O1.063Pb0.937Ti0.063
_cod_original_cell_volume        78.27769
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_database_code               1534402
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+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
Pb1 Pb+2 0 0.5 0.2393 0.937 0.0
Ti1 Ti+4 0 0.5 0.138 0.063 0.0
O2 O-2 0 0.5 0.485 0.063 0.0
O1 O-2 0 0 0 1 0.0
