#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/91/1509161.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_1509161
loop_
_publ_author_name
'Roehr, C.'
'Burggraf, F.'
'Duerr, I.'
'Daub, M.'
'Harms, W.'
_publ_section_title
;
 Ca Ag - Sr Ag - Ba Ag: Between CrB and FeB structure type
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2255
_journal_page_last               2266
_journal_volume                  634
_journal_year                    2008
_chemical_formula_sum            'Ag Ca0.49 Sr0.51'
_chemical_name_systematic        'Sr0.51 Ca0.49 Ag'
_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            24
_cell_length_a                   48.0005
_cell_length_b                   4.718
_cell_length_c                   6.2411
_cell_volume                     1413.399
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_120.cif
_cod_data_source_block           Ag1Ca0.49Sr0.51
_cod_original_formula_sum        'Ag1 Ca0.49 Sr0.51'
_cod_database_code               1509161
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
Sr6 Sr 0.34525 0.25 0.2856 0.54 0.0
Ca6 Ca 0.34525 0.25 0.2856 0.46 0.0
Ag2 Ag 0.1189 0.25 0.0273 1 0.0
Ca2 Ca 0.01186 0.25 0.7507 0.41 0.0
Sr4 Sr 0.26178 0.25 0.0544 0.51 0.0
Sr3 Sr 0.09517 0.25 0.5211 0.47 0.0
Sr2 Sr 0.01186 0.25 0.7507 0.59 0.0
Ca5 Ca 0.4284 0.25 0.5211 0.54 0.0
Ca4 Ca 0.26178 0.25 0.0544 0.49 0.0
Ag6 Ag 0.36934 0.25 0.7795 1 0.0
Ag5 Ag 0.03538 0.25 0.2575 1 0.0
Ag4 Ag 0.20251 0.25 0.7946 1 0.0
Sr5 Sr 0.4284 0.25 0.5211 0.46 0.0
Ca3 Ca 0.09517 0.25 0.5211 0.53 0.0
Ca1 Ca 0.17863 0.25 0.2889 0.52 0.0
Ag1 Ag 0.28568 0.25 0.5478 1 0.0
Sr1 Sr 0.17863 0.25 0.2889 0.48 0.0
Ag3 Ag 0.45246 0.25 0.0123 1 0.0
