#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535936.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_1535936
loop_
_publ_author_name
'Valldor, M.'
_publ_section_title
;
 Syntheses and structures of compounds with the Y Ba Co4 O7-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            'Al0.16 Ba Ca Co2.208 O7 Zn1.632'
_chemical_name_systematic        'Ca Ba Co2.208 Zn1.632 Al0.16 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                   6.3331
_cell_length_b                   6.3331
_cell_length_c                   10.1964
_cell_volume                     354.169
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Valldor_SSSCFJ_2004_1248.cif
_cod_data_source_block           Al0.16Ba1Ca1Co2.208O7Zn1.632
_cod_original_cell_volume        354.1687
_cod_original_formula_sum        'Al0.16 Ba1 Ca1 Co2.208 O7 Zn1.632'
_cod_database_code               1535936
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
O2 O-2 0 0 0.2527 1 0.0
Ca1 Ca+2 0.666667 0.333333 0.8724 1 0.0
Al1 Al+3 0 0 0.441629 0.16 0.0
Ba1 Ba+2 0.666667 0.333333 0.5 1 0.0
O3 O-2 0.1571 0.8429 0.4987 1 0.0
Co2 Co+2 0.1711 0.8289 0.68494 0.656 0.0
Zn1 Zn+2 0 0 0.441629 0.6 0.0
O1 O-2 0.4963 0.5037 0.7404 1 0.0
Co1 Co+2 0 0 0.44163 0.24 0.0
Zn2 Zn+2 0.171103 0.828897 0.684943 0.344 0.0
