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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/1/53/40/1534028.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_1534028
loop_
_publ_author_name
'Podberezskaya, N.V.'
'Pervukhina, N.V.'
'Kozeeva, L.P.'
'Kameneva, M.Yu.'
'Romanenko, G.V.'
'Virovets, A.V.'
'Naumov, D.Yu.'
_publ_section_title
;
 Crystal structure of the tetragonal form of Lu Ba2 Cu3 O6+x (x = 0)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              564
_journal_page_last               567
_journal_volume                  43
_journal_year                    2002
_chemical_formula_sum            'Ba2 Cu3 Lu O6'
_chemical_name_systematic        'Lu Ba2 Cu3 O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8399
_cell_length_b                   3.8399
_cell_length_c                   11.841
_cell_volume                     174.594
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Podberezskaya_ZSTKAI_2002_659.cif
_cod_data_source_block           Ba2Cu3Lu1O6
_cod_original_cell_volume        174.5936
_cod_original_formula_sum        'Ba2 Cu3 Lu1 O6'
_cod_database_code               1534028
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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 0.1521 1 0.0
Cu2 Cu+1 0 0 0.3636 1 0.0
Lu1 Lu+3 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.1957 1 0.0
Cu1 Cu+1 0 0 0 1 0.0
O2 O-2 0 0.5 0.3816 1 0.0
