#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530049.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_1530049
loop_
_publ_author_name
'Haeuseler, H.'
'Jung, M.'
_publ_section_title
;
 Single crystal growth and structure of La O Br and Sm O Br
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1291
_journal_page_last               1294
_journal_volume                  21
_journal_year                    1986
_chemical_formula_sum            'Br La O'
_chemical_name_systematic        'La O Br'
_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                   4.159
_cell_length_b                   4.159
_cell_length_c                   7.392
_cell_volume                     127.862
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Haeuseler_MRBUAC_1986_1311.cif
_cod_data_source_block           Br1La1O1
_cod_original_cell_volume        127.8615
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Br1 La1 O1'
_cod_database_code               1530049
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
O1 O-2 0 0 0 1 0.0
La1 La+3 0.5 0 0.1622 1 0.0
Br1 Br-1 0.5 0 0.6349 1 0.0
