#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/72/1527283.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_1527283
loop_
_publ_author_name
'Datt, I.D.'
'Rannev, N.V.'
'Balicheva, T.G.'
'Ozerov, R.P.'
_publ_section_title
;
 Crystal structure of lithium bichromate dihydrate Li2 Cr2 O7 (H2 O)2
;
_journal_name_full               Kristallografiya
_journal_page_first              949
_journal_page_last               952
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'Cr2 H4 Li2 O9'
_chemical_name_systematic        'Li2 (Cr2 O7) (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3
_cell_length_b                   7.51
_cell_length_c                   7.67
_cell_volume                     764.674
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Datt_KRISAJ_1970_1895.cif
_cod_data_source_block           H4Cr2Li2O9
_cod_original_cell_volume        764.6737
_cod_original_formula_sum        'H4 Cr2 Li2 O9'
_cod_database_code               1527283
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
_atom_site_attached_hydrogens
O3 O-2 0.157 0.352 0.223 1 0.0 0
O4 O-2 0 0.066 0.25 1 0.0 0
O1 O-2 0.06 0.3 0.496 1 0.0 0
Cr1 Cr+6 0.101 0.158 0.357 1 0.0 0
O2 O-2 0.183 0.05 0.439 1 0.0 0
O5 O-2 0.14 0.267 0.881 1 0.0 2
Li1 Li+1 0.078 0.48 0.843 1 0.0 0
