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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/53/2105337.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_2105337
loop_
_publ_author_name
'Merlo, F.'
'Fornasini, M.L.'
_publ_section_title
;
 The structures of alpha-Ca Cu, beta-Ca Cu, Sr Ag and Ba Ag: Four
 different stacking variants based on noble-metal- centred trigonal prisms
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              500
_journal_page_last               503
_journal_paper_doi               10.1107/S0567740881003476
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ag Ba'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.657
_cell_length_b                   4.982
_cell_length_c                   6.651
_cell_volume                     286.852
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            silver1-2_66.cif
_cod_data_source_block           Ag1Ba1
_cod_original_cell_volume        286.8521
_cod_original_formula_sum        'Ag1 Ba1'
_cod_database_code               2105337
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Ag1 Ag 0.033 0.25 0.631 1 0.0
Ba1 Ba 0.18 0.25 0.129 1 0.0
