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