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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/8/10/40/8104018.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_8104018
loop_
_publ_author_name
'Usov, O.A.'
'Rozhdestvenskaya, I.V.'
'Kartenko, N.F.'
'Konnikov, S.G.'
'Goloshchapov, S.I.'
'Nosov, Yu.G.'
'Osipov, V.N.'
_publ_section_title
;
 Crystal structure of barium yttrium-neodymium cuprate, Nd Ba2 Cu2.7 Al0.3
 O6.7
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              279
_journal_page_last               279
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Al0.3 Ba2 Cu2.7 Nd O6.7'
_chemical_name_systematic        'Nd Ba2 Cu2 (Cu.7 Al0.3) O6.7'
_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                   3.914
_cell_length_b                   3.914
_cell_length_c                   11.826
_cell_volume                     181.167
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Usov_ZEKRDZ_1994_1571.cif
_cod_data_source_block           Al0.3Ba2Cu2.7Nd1O6.7
_cod_original_cell_volume        181.1672
_cod_original_formula_sum        'Al0.3 Ba2 Cu2.7 Nd1 O6.7'
_cod_database_code               8104018
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 0.5 0 1 0.0
Cu1 Cu+2 0 0 0 0.7 0.0
Nd1 Nd+3 0.5 0.5 0.5 1 0.0
O3 O-2 0 0 0.15 0.35 0.0
Ba1 Ba+2 0.5 0.5 0.1907 1 0.0
Al1 Al+3 0 0 0 0.3 0.0
O2 O-2 0.5 0 0.373 1 0.0
Cu2 Cu+2 0 0 0.3535 1 0.0
