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 9.688(2)
_cell_length_b 5.332(1)
_cell_length_c 5.350(1)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 276.37(5)
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_xyz
	'+x,+y,+z'
	'-x+1/2,+y+1/2,+z'
	'+x,-y+1/2,+z+1/2'
	'-x+1/2,-y,+z+1/2'
	'-x,-y,-z'
	'+x+1/2,-y+1/2,-z'
	'-x,+y+1/2,-z+1/2'
	'+x+1/2,+y,-z+1/2' 
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
U   0.886   0.025   0.264
O   0.800   0.380   0.140
O	0.980	0.750	0.490

