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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/1/52/95/1529581.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_1529581
loop_
_publ_author_name
'Bacher, P.'
'Laurent, Y.'
'Antoine, P.'
'L'Haridon, P.'
'Marchand, R.'
'Roult, G.'
_publ_section_title
;
 Time-of-flight neutron diffraction study of the structure of the
 perovskite-type oxynitride LaWO~0.6N~2.4~
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              67
_journal_page_last               71
_journal_paper_doi               10.1016/0022-4596(88)90091-6
_journal_volume                  77
_journal_year                    1988
_chemical_formula_sum            'La N2.4 O0.6 W'
_chemical_name_systematic        'La W O0.6 N2.4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6523
_cell_length_b                   5.6523
_cell_length_c                   8.0084
_cell_volume                     255.856
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bacher_JSSCBI_1988_1675.cif
_cod_data_source_block           La1N2.4O0.6W1
_cod_original_cell_volume        255.8563
_cod_original_formula_sum        'La1 N2.4 O0.6 W1'
_cod_database_code               1529581
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-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
N1 N-3 0 0.5 0.0023 0.63 0.0
N2 N-3 0.2815 0.2865 0.2439 0.88 0.0
W2 W+5 0 0.5 0.75 1 0.0
W1 W+5 0 0.5 0.25 1 0.0
O2 O-2 0.2815 0.2865 0.2439 0.12 0.0
La2 La+3 0 0 0.5 1 0.0
La1 La+3 0 0 0 1 0.0
O1 O-2 0 0.5 0.0023 0.37 0.0
