###############################################################################
# Jorgensen, J.E.;Marshall, W.G.;Smith, R.I.;Olsen, J.S.;Gerward, L. (2004)
# Journal of Applied Crystallography 37, 857-861
# High-pressure neutron powder diffraction study of the Im3- phase of Re O3
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_55462-ICSD
_database_code_ICSD                55462
_audit_creation_date               2005-10-01
_chemical_name_systematic
'Rhenium(VI) oxide'
_chemical_formula_structural       
'Re O3'
_chemical_formula_sum              
'O3 Re1'
_publ_section_title                
'O3 Re1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Applied Crystallography' 2004 37 857 861 JACGAR
loop_
_publ_author_name
Jorgensen, J.E.;Marshall, W.G.;Smith, R.I.;Olsen, J.S.;Gerward, L.
_cell_length_a                     7.4456(2)
_cell_length_b                     7.4456(2)
_cell_length_c                     7.4456(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       412.761
_cell_formula_units_Z              8.000
_symmetry_space_group_name_H-M     'I m -3'
_symmetry_Int_Tables_number        204
_refine_ls_R_factor_all            0.1045
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 '1/2+x,1/2+y,1/2+z'
 3 'x,-y,-z'
 4 '1/2+x,1/2-y,1/2-z'
 5 'x,-y,z'
 6 '1/2+x,1/2-y,1/2+z'
 7 '-y,-z,x'
 8 '1/2-y,1/2-z,1/2+x'
 9 '-y,z,x'
 10 '1/2-y,1/2+z,1/2+x'
 11 '-z,x,-y'
 12 '1/2-z,1/2+x,1/2-y'
 13 '-z,x,y'
 14 '1/2-z,1/2+x,1/2+y'
 15 'z,x,-y'
 16 '1/2+z,1/2+x,1/2-y'
 17 'z,x,y'
 18 '1/2+z,1/2+x,1/2+y'
 19 'y,-z,x'
 20 '1/2+y,1/2-z,1/2+x'
 21 'y,z,x'
 22 '1/2+y,1/2+z,1/2+x'
 23 'x,y,-z'
 24 '1/2+x,1/2+y,1/2-z'
 25 '-x,-y,-z'
 26 '1/2-x,1/2-y,1/2-z'
 27 '-x,y,z'
 28 '1/2-x,1/2+y,1/2+z'
 29 '-x,y,-z'
 30 '1/2-x,1/2+y,1/2-z'
 31 'y,z,-x'
 32 '1/2+y,1/2+z,1/2-x'
 33 'y,-z,-x'
 34 '1/2+y,1/2-z,1/2-x'
 35 'z,-x,y'
 36 '1/2+z,1/2-x,1/2+y'
 37 'z,-x,-y'
 38 '1/2+z,1/2-x,1/2-y'
 39 '-z,-x,y'
 40 '1/2-z,1/2-x,1/2+y'
 41 '-z,-x,-y'
 42 '1/2-z,1/2-x,1/2-y'
 43 '-y,z,-x'
 44 '1/2-y,1/2+z,1/2-x'
 45 '-y,-z,-x'
 46 '1/2-y,1/2-z,1/2-x'
 47 '-x,-y,z'
 48 '1/2-x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Re6+     6.
O2-     -2.
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Re1 Re6+ 8 c 0.250 0.250 0.250 0.0022(4) 1.
O1 O2- 24 g 0 0.2298(11) 0.2717(11) 0.0081(5) 1.
#End of data_55462-ICSD

