data_global _chemical_name_mineral 'Warwickite' loop_ _publ_author_name 'Moore P B' 'Araki T' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 985 _journal_page_last 1004 _publ_section_title ; Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite, Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper structures ; _database_code_amcsd 417 _chemical_compound_source 'Warwick, Orange County, New York, USA' _chemical_formula_sum '(Mg1.58 Ti.42) B O4' _cell_length_a 9.197 _cell_length_b 9.358 _cell_length_c 3.085 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 265.512 _exptl_crystal_density_diffrn 3.335 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-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 Mg1 0.1149 0.5695 0.25 0.62 0.00912 Ti1 0.1149 0.5695 0.25 0.38 0.00912 Mg2 0.1032 0.1899 0.25 0.96 0.00557 Ti2 0.1032 0.1899 0.25 0.04 0.00557 B 0.1673 0.8753 0.25 1.0 0.00836 O1 0.0206 0.8653 0.25 1.0 0.01355 O2 0.2488 0.7507 0.25 1.0 0.01279 O3 0.2353 0.0074 0.25 1.0 0.01064 O4 0.0118 0.3842 0.25 1.0 0.01102