#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/14/4031427.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_4031427
loop_
_publ_author_name
'Cudennec, Y.'
_publ_section_title
;
 Crystal structure of alpha - Al2 (Cr O4)2 Cr2 O7 (H2 O)4
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1711
_journal_page_last               1713
_journal_volume                  39
_journal_year                    1977
_chemical_formula_sum            'Al2 Cr4 H8 O19'
_chemical_name_systematic        'Al2 (Cr O4)2 Cr2 O7 (H2 O)4'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.329
_cell_length_b                   10.48
_cell_length_c                   13.3
_cell_volume                     742.777
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Cudennec_JINCAO_1977_153.cif
_cod_data_source_block           H8Al2Cr4O19
_cod_original_cell_volume        742.7773
_cod_original_sg_symbol_Hall     '-P 2yc (x-z,y,z)'
_cod_original_formula_sum        'H8 Al2 Cr4 O19'
_cod_database_code               4031427
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,-y,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
Al2 Al+3 0.25 0.3459 0.25 1 0.0
O8 O-2 0.763 0.5746 0.055 1 0.0
O2 O-2 0.2916 0.0874 0.046 1 0.0
Cr2 Cr+6 0.5797 0.6029 0.1519 1 0.0
O9 O-2 0.013 -0.1158 0.107 1 0.0
O1 O-2 0.8044 0.1131 0.0758 1 0.0
O5 O-2 0.75 0.6757 0.25 1 0.0
O6 O-2 0.367 0.7015 0.12 1 0.0
Cr1 Cr+6 0.5171 0.0953 0.1299 1 0.0
O4 O-2 0.468 0.2197 0.208 1 0.0
O7 O-2 0.466 0.4683 0.188 1 0.0
O3 O-2 0.514 -0.0315 0.192 1 0.0
Al1 Al+3 0 0 0 1 0.0
O10 O-2 0.058 0.3407 0.13 1 0.0
