#------------------------------------------------------------------------------
#$Date: 2015-10-09 22:05:18 +0200 (Fri, 09 Oct 2015) $
#$Revision: 163073 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535634.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_1535634
loop_
_publ_author_name
'Mueller-Buschbaum, K.'
_publ_section_title
;
 Er2 (C O3)2 (C2 O4) (H2 O)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1761
_journal_page_last               1764
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'C4 H4 Er2 O12'
_chemical_name_systematic        'Er2 (C O3)2 (C2 O4) (H2 O)2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7734
_cell_length_b                   14.92
_cell_length_c                   4.7308
_cell_volume                     548.673
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller-Buschbaum_ZAACAB_2002_540.cif
_cod_data_source_block           C4H4Er2O12
_cod_original_cell_volume        548.6729
_cod_database_code               1535634
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
x+1/2,y+1/2,z
x+1/2,-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 0.246 0.748 0.732 1 0.0
Er1 Er+3 0.0017 0.7933 -0.002 1 0.0
O2 O-2 -0.171 0.926 -0.014 1 0.0
O6 O-2 0.002 0.6392 0.093 1 0.0
C1 C+4 0.306 0.724 0.501 1 0.0
O1 O-2 0.4471 0.6792 0.5 1 0.0
O3 O-2 0.169 0.924 -0.014 1 0.0
O5 O-2 0.246 0.747 0.253 1 0.0
C3 C+3 0.097 0 0.003 1 0.0
C2 C+3 -0.1 0 0.005 1 0.0
