#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528524.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_1528524
loop_
_publ_author_name
'Georgopoulos, S.L.'
'de Oliveira, L.F.C.'
'Diniz, R.'
'Rodrigues, B.L.'
_publ_section_title
;
 Crystal structure and Raman spectra of rubidium hydrogen squarate
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              61
_journal_page_last               66
_journal_volume                  741
_journal_year                    2005
_chemical_formula_sum            'C4 H O4 Rb'
_chemical_name_systematic        'Rb H C4 O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.1472
_cell_length_b                   15.8467
_cell_length_c                   8.0608
_cell_volume                     526.603
_citation_journal_id_ASTM        JMOSB4
_cod_data_source_file            Georgopoulos_JMOSB4_2005_974.cif
_cod_data_source_block           C4H1O4Rb1
_cod_original_cell_volume        526.6025
_cod_original_formula_sum        'C4 H1 O4 Rb1'
_cod_database_code               1528524
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
C1 C+2 -0.1518 0.2104 0.6982 1 0.0
O4 O-2 -0.2598 0.058 0.6388 1 0.0
H1 H-1 -0.4504 0.2377 0.5363 1 0.0
O1 O-2 -0.323 0.2636 0.6027 1 0.0
C4 C+2 -0.1338 0.1191 0.7144 1 0.0
O2 O-2 0.2346 0.28856 0.896 1 0.0
Rb1 Rb+1 0.71565 0.43049 0.7595 1 0.0
C3 C+2 0.1122 0.132 0.8636 1 0.0
O3 O-2 0.2537 0.0842 0.9678 1 0.0
C2 C+2 0.095 0.2233 0.8316 1 0.0
