#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/77/1507758.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_1507758
loop_
_publ_author_name
'Laligant, Y'
'Le Bail, A'
'Goutenoire, F'
_publ_section_title
;
 Ab Initio Structure Determination of Lanthanum Cyclo-tetratungstate
 alpha-La2W2O9 from X-ray and Neutron Powder Diffraction
;
_journal_name_full
;
Journal of Solid State Chemistry
;
_journal_page_first              223
_journal_page_last               227
_journal_paper_doi               10.1006/jssc.2001.9189
_journal_volume                  159
_journal_year                    2001
_chemical_formula_sum            'La2 O9 W2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.367(1)
_cell_angle_beta                 94.715(1)
_cell_angle_gamma                70.286(1)
_cell_formula_units_Z            2
_cell_length_a                   7.2489(1)
_cell_length_b                   7.2878(1)
_cell_length_c                   7.0435(1)
_cell_measurement_temperature    293(2)
_cell_volume                     347.729(9)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    ESPOIR
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_source         neutron
_diffrn_radiation_wavelength     1.5939
_cod_data_source_file            La2W2O9.cif
_cod_data_source_block           La2W2O9
_cod_database_code               1507758
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
La1 0.8480(3) 0.7410(3) 0.1568(3) 0.33(3)
La2 0.5837(3) 0.7297(3) 0.6258(3) 0.57(3)
W1 0.6479(4) 0.2037(5) 0.8445(5) 0.52(5)
W2 -0.0635(4) 0.2716(4) 0.2798(4) 0.41(5)
O1 0.1900(4) 0.9065(4) 0.7250(4) 0.85(5)
O2 0.0930(4) 0.4157(4) 0.1883(4) 0.59(5)
O3 0.4630(4) 0.2918(4) 0.0204(4) 0.72(4)
O4 0.1913(4) 0.0526(4) 0.1415(4) 0.78(5)
O5 0.4738(4) 0.0969(4) 0.6830(4) 0.48(4)
O6 0.2552(4) 0.5066(4) 0.6561(4) 0.76(5)
O7 0.0942(4) 0.2237(4) 0.4919(4) 0.93(5)
O8 0.1564(4) 0.7195(4) 0.0113(4) 0.61(5)
O9 0.3510(4) 0.6481(4) 0.3426(4) 0.76(4)
