#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535932.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_1535932
loop_
_publ_author_name
'Valldor, M.'
_publ_section_title
;
 Syntheses and structures of compounds with the YBaCo4O7-type structure
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              251
_journal_page_last               266
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'Al1.11 Ba Ca Fe0.735 O7 Zn2.155'
_chemical_name_systematic        'Ca Ba Zn2.155 Fe0.735 Al1.11 O7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.329
_cell_length_b                   6.329
_cell_length_c                   10.15
_cell_volume                     352.101
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Valldor_SSSCFJ_2004_1246.cif
_cod_data_source_block           Al1.11Ba1Ca1Fe0.735O7Zn2.155
_cod_original_cell_volume        352.1007
_cod_original_formula_sum        'Al1.11 Ba1 Ca1 Fe0.735 O7 Zn2.155'
_cod_database_code               1535932
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,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
O1 O-2 0.49 0.51 0.739 1 0.0
Al2 Al+3 0.17143 0.82857 0.684 0.227 0.0
Ba1 Ba+2 0.666667 0.333333 0.5 1 0.0
Zn1 Zn+2 0.17143 0.82857 0.684 0.71819 0.0
Fe1 Fe+3 0 0 0.439 0.57 0.0
Ca1 Ca+2 0.666667 0.333333 0.8721 1 0.0
O2 O-2 0 0 0.257 1 0.0
Fe2 Fe+3 0.17143 0.82857 0.684 0.055 0.0
Al1 Al+3 0 0 0.439 0.43 0.0
O3 O-2 0.1541 0.8459 0.501 1 0.0
