data_global
_chemical_name 'UO2'
loop_
_publ_author_name
'Graux S'
'Gautron L'
'Andrault D'
'Bolfan-Casanova N'
'Guignot N'
'Haines J'
_journal_name_full "American Mineralogist"
_journal_volume ... 
_journal_year ...
_journal_page_first ...
_journal_page_last ...
_publ_section_title
;
 Structural characterisation of natural UO2 at pressures up to 82 GPa and temperature up to 2200 K
;
_chemical_formula_sum 'U O2'
_cell_length_a 5.3292(1)
_cell_length_b 5.3292
_cell_length_c 5.3292
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 151.35(2)
_symmetry_space_group_name_H-M 'P a -3'
loop_
_symmetry_equiv_pos_as_xyz
	'+x,+y,+z' 
	'+z,+x,+y'
	'+y,+z,+x'
	'+x+1/2,+y,-z+1/2'
	'-z+1/2,+x+1/2,+y'
	'+y,-z+1/2,+x+1/2'
	'-z,+x+1/2,-y+1/2'
	'-y+1/2,-z,+x+1/2'
	'+y+1/2,-z+1/2,-x'
	'-x,+y+1/2,-z+1/2'
	'-z+1/2,-x,+y+1/2'
	'+x+1/2,-y+1/2,-z'
	'-x,-y,-z'
	'-z,-x,-y'
	'-y,-z,-x'
	'-x+1/2,-y,+z+1/2'
	'+z+1/2,-x+1/2,-y'
	'-y,+z+1/2,-x+1/2'
	'+z,-x+1/2,+y+1/2'
	'+y+1/2,+z,-x+1/2'
	'-y+1/2,+z+1/2,+x'
	'+x,-y+1/2,+z+1/2'
	'+z+1/2,+x,-y+1/2'
	'-x+1/2,+y+1/2,+z' 
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U   0.00000   0.00000   0.00000
O   0.37885   0.37885   0.37885


