data_global
_chemical_name_mineral 'Manganite'
loop_
_publ_author_name
'Kohler T'
'Armbruster T'
'Libowitzky E'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 133 
_journal_year 1997
_journal_page_first 486
_journal_page_last 500
_publ_section_title
;
 Hydrogen bonding and Jahn-Teller distortion in groutite, alpha-MnOOH,
 and manganite, gamma-MnOOH, and their relations to the manganese
 dioxides ramsdellite and pyrolusite
 Note: Uiso corrected
;
_database_code_amcsd 0013942
_chemical_compound_source 'Nchwaning Mine, Kalahari manganese field, Republic of South Africa'
_chemical_formula_sum 'Mn O2 H'
_cell_length_a 5.304
_cell_length_b 5.277
_cell_length_c 5.304
_cell_angle_alpha 90
_cell_angle_beta 114.38
_cell_angle_gamma 90
_cell_volume 135.217
_exptl_crystal_density_diffrn      4.320
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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  -0.23684   0.01033   0.75464   0.00630
O2   0.87520   0.12560   0.12060   0.00610
O1   0.37490   0.12380   0.62790   0.00830
H   0.28400   0.02700   0.72500   0.02900
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn 0.00451 0.00564 0.00477 0.00070 -0.00209 -0.00056
O2 0.00580 0.00670 0.00640 0.00070 0.00300 -0.00080
O1 0.00610 0.00620 0.00660 0.00010 -0.00350 -0.00040