data_global
_chemical_name_mineral 'Groutellite'
loop_
_publ_author_name
'Post J E'
'Heaney P J'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 969
_journal_page_last 975
_publ_section_title
;
 Neutron and synchrotron X-ray diffraction study of the structures
 and dehydration behaviors of ramsdellite and "groutellite"
;
_database_code_amcsd 0003566
_chemical_formula_sum 'Mn O2'
_cell_length_a 9.5155
_cell_length_b 2.8644
_cell_length_c 4.7061
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 128.270
_exptl_crystal_density_diffrn      4.502
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.14160   0.25000   0.04070   0.03930
O1   0.95770   0.25000   0.78190   0.04600
O2   0.27910   0.25000   0.34200   0.04600