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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/45/8104511.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_8104511
loop_
_publ_author_name
'Smith, H.W.'
'Colby, M.Y.'
_publ_section_title
;
 The crystal structure of rubidium chromate Rb2 Cr O4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              90
_journal_page_last               95
_journal_volume                  103
_journal_year                    1941
_chemical_formula_sum            'Cr O4 Rb2'
_chemical_name_systematic        'Rb2 (Cr O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.301
_cell_length_b                   10.725
_cell_length_c                   7.999
_cell_volume                     540.558
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Smith_ZEKGAX_1941_1627.cif
_cod_data_source_block           Cr1O4Rb2
_cod_original_cell_volume        540.5582
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Cr1 O4 Rb2'
_cod_database_code               8104511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,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
Cr1 Cr+6 0.25 0.083 -0.25 1 0.0
O1 O-2 0.25 0.083 -0.05 1 0.0
O2 O-2 0.25 -0.056 -0.317 1 0.0
Rb1 Rb+1 0.25 0.086 0.333 1 0.0
O3 O-2 0.036 0.15 -0.317 1 0.0
Rb2 Rb+1 0.25 -0.297 -0.486 1 0.0
