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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/4/00/23/4002304.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_4002304
loop_
_publ_author_name
'Alvarez-Vega, M.'
'Rodriguez-Carvajal, J.'
'Reyes-Cardenas, J.G.'
'Fuentes, A.F.'
'Amador, U.'
_publ_section_title
;
 Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2
 (M = Co, Ni and Cu)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3871
_journal_page_last               3875
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Li2 Ni O8 W2'
_chemical_name_systematic        'Li2 Ni (W O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.92
_cell_angle_beta                 88.52
_cell_angle_gamma                115.45
_cell_formula_units_Z            1
_cell_length_a                   4.907
_cell_length_b                   5.602
_cell_length_c                   5.8403
_cell_volume                     134.374
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Alvarez-Vega_CMATEX_2001_951.cif
_cod_data_source_block           Li2Ni1O8W2
_cod_original_cell_volume        134.3744
_cod_original_formula_sum        'Li2 Ni1 O8 W2'
_cod_database_code               4002304
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
W1 W+6 0.2643 0.5337 0.6649 1 0.0
Li1 Li+1 0.027 0.072 0.254 1 0.0
O1 O-2 -0.0322 0.2421 0.9231 1 0.0
O2 O-2 0.5136 0.7499 0.81 1 0.0
O3 O-2 0.5482 0.7218 0.3299 1 0.0
O4 O-2 0.0437 0.7276 0.543 1 0.0
Ni1 Ni+2 0.5 0 0 1 0.0
