data_global _chemical_name_mineral 'Pinnoite' loop_ _publ_author_name 'Paton F' 'MacDonald S G G' _journal_name_full 'Acta Crystallographica' _journal_volume 10 _journal_year 1957 _journal_page_first 653 _journal_page_last 656 _publ_section_title ; The crystal structure of pinnoite ; _database_code_amcsd 0009203 _chemical_compound_source 'Stassfurt, Germany' _chemical_formula_sum 'Mg B2 O7 H6' _cell_length_a 7.62 _cell_length_b 7.62 _cell_length_c 8.19 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 475.547 _exptl_crystal_density_diffrn 2.290 _symmetry_space_group_name_H-M 'P 42/n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x,-z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '-y,x,-z' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg 0.75000 0.25000 0.25000 B 0.89300 0.38300 -0.11000 O1 0.50000 0.00000 0.01000 O-H2 0.83900 0.23800 0.01300 O-H3 0.98800 0.30200 -0.23900 O-H4 0.72800 0.48800 -0.16700