#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:45:23 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318189.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_4318189
loop_
_publ_author_name
'P. Norby'
'R. Dinnebier'
'A. N. Fitch'
_publ_section_title
;
 Decomposition of Silver Carbonate; the Crystal Structure of Two
 High-Temperature Modifications of Ag2CO3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3628
_journal_page_last               3637
_journal_paper_doi               10.1021/ic0111177
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C Ag2 O3'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_audit_creation_date             'Oct 23 13:50:32'
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' Oct 23 13:50:32 2001  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   9.09243(4)
_cell_length_b                   9.09243
_cell_length_c                   3.324938
_cell_volume                     238.0533(10)
_computing_structure_refinement  GSAS
_pd_block_id                     'Oct 23 13:50:32 |PHASE_1||'
_pd_phase_name                   alpha_Ag2CO3
_refine_ls_goodness_of_fit_all   0.48
_refine_ls_number_parameters     25
_refine_ls_number_restraints     2
_refine_ls_shift/esd_max         4.48
_refine_ls_shift/esd_mean        .44
_cod_data_source_file            ic0111177_3.cif
_cod_data_source_block           ALPHA_R3_phase_1
_cod_database_code               4318189
_cod_database_fobs_code          4318189
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
y-x,-x,-z
-y,x-y,+z
+x,+y,-z
y-x,-x,+z
-y,x-y,-z
x-y,-y,-z
-x,y-x,+z
+y,+x,-z
x-y,-y,+z
-x,y-x,-z
+y,+x,+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
Ag1 0.07655 0.05289 0.08214 0.02645 0.0 0.0
AG2 0.07598 0.05233 0.10491 0.02617 0.0 0.0
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Ag1 0.35102 0.0 0.0 1.0 Uani 0.07316 3
C1 0.0 0.0 0.0 1.0 Uiso 0.04689 1
O1 0.07968 0.16137 0.0 0.5 Uiso -0.00237 6
C2 0.33333 0.66667 0.5 1.0 Uiso 0.02441 2
O2 0.48586 0.70353 0.5 1.0 Uiso 0.08677 6
AG2 0.67993 0.0 0.5 1.0 Uani 0.08036 3
loop_
_atom_type_symbol
_atom_type_number_in_cell
C 3.0
AG 6.0
O 9.0
