data_global _chemical_name_mineral 'Brucite' loop_ _publ_author_name 'Catti M' 'Ferraris G' 'Hull S' 'Pavese A' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 22 _journal_year 1995 _journal_page_first 200 _journal_page_last 206 _publ_section_title ; Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa ; _database_code_amcsd 0007912 _chemical_formula_sum 'Mg O2 H2' _cell_length_a 3.14979 _cell_length_b 3.14979 _cell_length_c 4.7702 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 40.986 _exptl_crystal_density_diffrn 2.363 _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_U_iso_or_equiv Mg 0.00000 0.00000 0.00000 0.00545 O 0.33333 0.66667 0.22030 0.00532 H 0.33333 0.66667 0.41300 ? 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 H 0.04192 0.04192 0.01039 0.02096 0.00000 0.00000