#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/66/2106661.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106661
loop_
_publ_author_name
'Bruzzone, G.'
'Fornasini, M.L.'
_publ_section_title
;
 The crystal structure of Ba Cd4.43
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              317
_journal_page_last               319
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Ba Cd4.43'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            7
_cell_length_a                   10.74
_cell_length_b                   10.74
_cell_length_c                   10.2
_cell_volume                     1018.918
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bruzzone_ACBCAR_1974_1787.cif
_cod_data_source_block           Ba1Cd4.43
_cod_original_formula_sum        'Ba1 Cd4.43'
_cod_database_code               2106661
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
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
Ba2 Ba 0 0 0.2135 1 0.0
Cd3 Cd 0.1852 -0.1852 0.2604 1 0.0
Cd4 Cd 0.3333 0.6667 0.3499 1 0.0
Cd2 Cd 0.5 0 0.1619 1 0.0
Cd1 Cd 0.2708 0 0 1 0.0
Ba1 Ba 0.3333 0.6667 0 1 0.0
Cd5 Cd 0.1038 -0.1038 0.5 0.5 0.0
Ba3 Ba 0.5 0 0.5 1 0.0
