#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106660.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106660
loop_
_publ_author_name
'Brown, I.D.'
'Faggiani, R.'
_publ_section_title
;
 Refinement of the crystal structure of lithium chromate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2364
_journal_page_last               2365
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cr Li2 O4'
_chemical_name_systematic        'Li2 (Cr O4)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   14.005
_cell_length_b                   14.005
_cell_length_c                   9.405
_cell_volume                     1597.554
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Brown_ACBCAR_1975_81.cif
_cod_data_source_block           Cr1Li2O4
_cod_original_formula_sum        'Cr1 Li2 O4'
_cod_database_code               2106660
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 0.4573 0.2511 0.4405 1 0.0
O3 O-2 0.4627 0.2576 0.7303 1 0.0
O1 O-2 0.5618 0.4462 0.5812 1 0.0
Cr1 Cr+6 0.4563 0.3164 0.5868 1 0.0
Li1 Li+1 0.4581 0.3149 0.9196 1 0.0
O2 O-2 0.3424 0.3276 0.5856 1 0.0
Li2 Li+1 0.4541 0.3135 0.2522 1 0.0
