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#$Date: 2015-07-12 17:54:22 +0200 (dom 12 de jul de 2015) $
#$Revision: 147275 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526154.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_1526154
loop_
_publ_author_name
'Obbade, S.'
'Drache, M.'
'Suard, E.'
'Conflant, P.'
_publ_section_title
;
 Ab initio determination of Bi4.86 La1.14 O9 monoclinic structure from
 powder neutron diffraction data. Characterization of the related solid
 solution
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              10
_journal_page_last               19
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Bi4.86 La1.14 O9'
_chemical_name_systematic        'Bi4 (Bi0.86 La1.14) O9'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.7
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.4956
_cell_length_b                   3.9742
_cell_length_c                   7.0425
_cell_volume                     257.067
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Obbade_JSSCBI_2001_1711.cif
_cod_data_source_block           Bi4.86La1.14O9
_cod_original_cell_volume        257.0666
_cod_database_code               1526154
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
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
Bi2 Bi+3 0.8283 0.2624 0.0304 1 0.0
O3 O-2 0.1835 0.1792 0.8235 0.532 0.0
La1 La+3 0.5 0.2555 0.25 0.57 0.0
Bi1 Bi+3 0.5 0.2555 0.25 0.43 0.0
O1 O-2 0.3994 0.7596 0.0488 1 0.0
O2 O-2 0.2205 0.7903 0.6656 0.718 0.0
