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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/4/34/45/4344515.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_4344515
loop_
_publ_author_name
'Guo, G.-C.'
'Wang, Q.-M.'
'Mak, T.'
_publ_section_title
;
 Variation of (Ag C N) chain configuration in silver(I) double salts:
 crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O
;
_journal_name_full               'Inorganic Chemistry Communications'
_journal_page_first              313
_journal_page_last               315
_journal_volume                  3
_journal_year                    2000
_chemical_formula_sum            'C H4 Ag3 Cl2 N O10'
_chemical_name_systematic        '(Ag C N) (Ag Cl O4)2 (H2 O)2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.42
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.877
_cell_length_b                   21.187
_cell_length_c                   5.307
_cell_volume                     548.199
_citation_journal_id_ASTM        ICCOFP
_cod_data_source_file            Guo_ICCOFP_2000_267.cif
_cod_data_source_block           C1H4Ag3Cl2N1O10
_cod_original_cell_volume        548.1986
_cod_original_formula_sum        'C1 H4 Ag3 Cl2 N1 O10'
_cod_database_code               4344515
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
O4 O-2 0.0997 0.1191 0.0945 1 0.0
Cl2 Cl+7 -0.34337 0.3933 -0.13956 1 0.0
O5 O-2 -0.223 0.45246 -0.0603 1 0.0
Ag3 Ag+1 0.30734 0.13554 -0.34971 1 0.0
O3 O-2 -0.299 0.1747 0.0079 1 0.0
O9 O-2 0.1881 0.47422 -0.6804 1 0.0
O8 O-2 -0.6342 0.39541 -0.1234 1 0.0
O7 O-2 -0.2769 0.38103 -0.3969 1 0.0
O6 O-2 -0.2417 0.34375 0.019 1 0.0
Ag2 Ag+1 0.17881 0.36691 -0.61593 1 0.0
O10 O-2 0.3094 0.03106 -0.476 1 0.0
O1 O-2 -0.3249 0.06651 0.0851 1 0.0
N1 N-3 0.2431 0.24557 -0.3169 1 0.0
Ag1 Ag+1 0.26586 0.25662 -0.91744 1 0.0
Cl1 Cl+7 -0.18842 0.12332 0.14643 1 0.0
O2 O-2 -0.2219 0.13411 0.4126 1 0.0
C1 C+2 0.2457 0.26337 -0.5217 1 0.0
