#------------------------------------------------------------------------------
#$Date: 2015-10-05 11:45:28 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159653 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533412.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_1533412
loop_
_publ_author_name
'Schuepp, B.'
'Wende, C.'
_publ_section_title
;
 Synthesis and crystal structure of Sm2 Ba4 Cu2 O9
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              71
_journal_page_last               76
_journal_volume                  361
_journal_year                    2003
_chemical_formula_sum            'Ba4 Cu2 O9 Sm2'
_chemical_name_systematic        'Sm2 Ba4 Cu2 O9'
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0496
_cell_length_b                   12.0496
_cell_length_c                   3.8649
_cell_volume                     561.156
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Schuepp_JALCEU_2003_116.cif
_cod_data_source_block           Ba4Cu2O9Sm2
_cod_original_cell_volume        561.1559
_cod_database_code               1533412
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x+1/2,y+1/2,z+1/2
y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
-y+1/2,-x+1/2,-z+1/2
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
Ba1 Ba+2 0.1136 0.1771 0.75 1 0.0
O3 O-2 0.412 0.912 0.25 1 0.0
O4 O-2 -0.025 0.286 0.24 1 0.0
Cu1 Cu+2 0.0985 0.4015 0.25 1 0.0
Sm1 Sm+3 0.3864 0.1136 0.25 1 0.0
O1 O-2 0 0 0.5 1 0.0
O2 O-2 0.259 0.241 0.25 1 0.0
