#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:45:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179261 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/81/4318187.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_4318187
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           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_audit_creation_date             'Oct 23 13:47:26'
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' Oct 23 13:47:26 2001  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 91.97130(30)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.852090(22)
_cell_length_b                   9.54888(4)
_cell_length_c                   3.253628(15)
_cell_volume                     150.6580(12)
_computing_structure_refinement  GSAS
_pd_block_id                     'Oct 23 13:47:26 |PHASE_1||'
_pd_phase_name                   lt-Ag2CO3
_refine_ls_goodness_of_fit_all   1.04
_refine_ls_number_parameters     38
_refine_ls_number_restraints     0
_refine_ls_shift/esd_max         6.62
_refine_ls_shift/esd_mean        1.50
_cod_data_source_file            ic0111177_1.cif
_cod_data_source_block           A_R_phase_1
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4318187
_cod_database_fobs_code          4318187
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,+y+1/2,-z
-x,-y,-z
+x,-y+1/2,+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
AG 0.02415 0.02232 0.03783 0.00192 -0.00609 0.00419
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
AG 0.21142 0.07801 0.21877 1.0 Uani 0.02826 4
O1 -0.02189 0.25 0.89 1.0 Uiso 0.00278 2
O2 0.38895 0.63624 0.33011 1.0 Uiso -0.0011 4
C 0.26655 0.75 0.26433 1.0 Uiso 0.00053 2
loop_
_atom_type_symbol
_atom_type_number_in_cell
C 2.0
AG 4.0
O 6.0
