data_global
_chemical_name_mineral 'Guyanaite'
loop_
_publ_author_name
'Christensen N'
'Hansen P'
'Lehmann M S'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 19 
_journal_year 1976
_journal_page_first 299
_journal_page_last 304
_publ_section_title
;
 Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
;
_database_code_amcsd 0013340
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cr O2 D'
_cell_length_a 4.873
_cell_length_b 4.332
_cell_length_c 2.963
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 62.548
_exptl_crystal_density_diffrn      4.567
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cr   0.00000   0.00000   0.00000   1.00000   0.00190
O1   0.34990   0.24210   0.00000   1.00000   0.00190
D   0.45620   0.04010   0.00000   0.50000   0.00190