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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/17/1541753.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_1541753
loop_
_publ_author_name
'Wischert, W.'
'Schittenhelm, H.J.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Strukturbestimmungen an H-Ba2 Lu2/3 ()1/3 W O6 - eine neue rhomboedrische
 Stapelvariante mit 18 Schichten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              119
_journal_page_last               125
_journal_volume                  448
_journal_year                    1979
_chemical_formula_sum            'Ba2 Lu0.667 O6 W'
_chemical_name_systematic        'Ba2 Lu.667 W O6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   5.849
_cell_length_b                   5.849
_cell_length_c                   42.565
_cell_volume                     1261.091
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wischert_ZAACAB_1979_1584.cif
_cod_data_source_block           Ba2Lu0.667O6W1
_cod_original_formula_sum        'Ba2 Lu0.667 O6 W1'
_cod_database_code               1541753
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.167 -0.167 0.139 1 0.0
Lu1 Lu+3 0 0 0.277 1 0.0
W1 W+6 0 0 0 1 0.0
Ba2 Ba+2 0 0 0.184 1 0.0
W2 W+6 0 0 0.453 1 0.0
O3 O-2 0.167 -0.167 0.694 1 0.0
O2 O-2 0.167 -0.167 0.25 1 0.0
Ba3 Ba+2 0 0 0.363 1 0.0
Ba1 Ba+2 0 0 0.085 1 0.0
