data_global _chemical_name_mineral 'Pyrochroite' loop_ _publ_author_name 'Parise J B' 'Theroux B' 'Li R' 'Loveday J S' 'Marshall W G' 'Klotz S' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 25 _journal_year 1998 _journal_page_first 130 _journal_page_last 137 _publ_section_title ; Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa ; _database_code_amcsd 0008113 _chemical_formula_sum 'Mn O2 D2' _cell_length_a 3.305 _cell_length_b 3.305 _cell_length_c 4.675 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 44.224 _exptl_crystal_density_diffrn 3.416 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-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 Mn 0.00000 0.00000 0.00000 1.00000 0.00500 O 0.33333 0.66667 0.22900 1.00000 0.01500 D 0.36900 -0.36900 0.42600 0.33333 0.01900