#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/92/1509204.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_1509204
loop_
_publ_author_name
'Hess, H.'
'Keller, P.'
'Riffel, H.'
_publ_section_title
;
 Die Kristallstruktur von Ag Cu3 Cu (As O4)3 und ihre strukturellen
 Beziehungen zu Ag Co3 H2 (As O4)3 bzw. Ag Zn3 H2 (As O4)3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              60
_journal_page_last               68
_journal_paper_doi               10.1002/zaac.19855301106
_journal_volume                  530
_journal_year                    1985
_chemical_formula_sum            'Ag As3 Cu4 O12'
_chemical_name_systematic        'Ag Cu4 (As O4)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.127
_cell_length_b                   12.49
_cell_length_c                   7.278
_cell_volume                     973.877
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver1-2_42.cif
_cod_data_source_block           Ag1As3Cu4O12
_cod_original_cell_volume        973.8774
_cod_original_formula_sum        'Ag1 As3 Cu4 O12'
_cod_database_code               1509204
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
Cu3 Cu+2 0 0.4961 0.25 1 0.0
As2 As+5 0.2286 0.1179 0.1221 1 0.0
O4 O-2 0.3532 0.3311 0.1193 1 0.0
Ag1 Ag+1 0 0.0115 0.25 1 0.0
Cu2 Cu+2 0.2793 0.3433 0.3612 1 0.0
O6 O-2 0.0444 0.2043 0.4654 1 0.0
O2 O-2 0.3821 0.1112 0.1779 1 0.0
As1 As+5 0 0.2778 0.25 1 0.0
O3 O-2 0.1037 0.3769 0.258 1 0.0
O1 O-2 0.3292 0.4956 0.3797 1 0.0
O5 O-2 0.2209 0.193 0.3077 1 0.0
Cu1 Cu+2 0.5 0.2351 0.25 1 0.0
