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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/39/4343945.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_4343945
loop_
_publ_author_name
'Wilson, M.P.'
'Alcock, N.W.'
'Rodger, P.M.'
_publ_section_title
;
 Structure of anhydrous alkali-metal formates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4359
_journal_page_last               4363
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C H O2 Rb'
_chemical_name_systematic        'Rb (H C O O)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6172
_cell_length_b                   9.1822
_cell_length_c                   7.3525
_cell_volume                     311.717
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Wilson_INOCAJ_2006_941.cif
_cod_data_source_block           C1H1O2Rb1
_cod_original_formula_sum        'C1 H1 O2 Rb1'
_cod_database_code               4343945
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
O1 O-2 0.545 0.179 -0.25 1 0.0
Rb1 Rb+1 0.05845 0.25 0 1 0.0
C1 C+4 0.61 0.0481 -0.25 1 0.0
H1 H-1 0.4546 -0.0199 -0.25 1 0.0
O2 O-2 0.8643 -0.0034 -0.25 1 0.0
