#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/95/1509583.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_1509583
loop_
_publ_author_name
'Roehr, C.'
'Burggraf, F.'
'Duerr, I.'
'Harms, W.'
'Daub, M.'
_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            'Ag1.2 Ca0.3 Sr0.9'
_chemical_name_systematic        'Sr0.9 Ca0.3 Ag1.2'
_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            10
_cell_length_a                   24.3467
_cell_length_b                   4.7397
_cell_length_c                   6.292
_cell_volume                     726.072
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_584.cif
_cod_data_source_block           Ag1.2Ca0.3Sr0.9
_cod_database_code               1509583
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
Ca2 Ca 0.05999 0.25 0.6329 0.247 0.0
Sr3 Sr 0.39306 0.25 0.6303 0.741 0.0
Ag3 Ag 0.01197 0.25 0.12511 1 0.0
Sr1 Sr 0.22641 0.25 0.3966 0.746 0.0
Sr2 Sr 0.05999 0.25 0.6329 0.753 0.0
Ca3 Ca 0.39306 0.25 0.6303 0.259 0.0
Ag2 Ag 0.34498 0.25 0.13838 1 0.0
Ag1 Ag 0.17852 0.25 0.88857 1 0.0
Ca1 Ca 0.22641 0.25 0.3966 0.254 0.0
