#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/91/1509159.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_1509159
loop_
_publ_author_name
'Duerr, I.'
'Daub, M.'
'Harms, W.'
'Burggraf, F.'
'Roehr, C.'
_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 Ca0.39 Sr0.61'
_chemical_name_systematic        'Sr0.61 Ca0.39 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            12
_cell_length_a                   24.122
_cell_length_b                   4.7275
_cell_length_c                   6.2617
_cell_volume                     714.064
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_119.cif
_cod_data_source_block           Ag1Ca0.39Sr0.61
_cod_original_formula_sum        'Ag1 Ca0.39 Sr0.61'
_cod_database_code               1509159
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
Ag2 Ag 0.34504 0.25 0.13888 1 0.0
Ca1 Ca 0.22626 0.25 0.39858 0.399 0.0
Sr1 Sr 0.22626 0.25 0.39858 0.601 0.0
Sr3 Sr 0.3931 0.25 0.63151 0.629 0.0
Ag1 Ag 0.17866 0.25 0.89152 1 0.0
Ca2 Ca 0.05986 0.25 0.63291 0.386 0.0
Ca3 Ca 0.3931 0.25 0.63151 0.371 0.0
Ag3 Ag 0.01203 0.25 0.12614 1 0.0
Sr2 Sr 0.05986 0.25 0.63291 0.614 0.0
