data_global _chemical_name_mineral 'Boromuscovite' loop_ _publ_author_name 'Liang J' 'Hawthorne F C' 'Novak M' 'Cerny P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 859 _journal_page_last 865 _publ_section_title ; Crystal-structure refinement of boromuscovite polytypes using a coupled Rietveld-static-structure energy-minimization method Sample: 1M polytype ; _database_code_amcsd 0005446 _chemical_compound_source 'Recice, Czech Republic' _chemical_formula_sum 'Al.82 (Si3 B) K.2 (O12 H2)' _cell_length_a 5.102 _cell_length_b 8.788 _cell_length_c 10.076 _cell_angle_alpha 90 _cell_angle_beta 101.23 _cell_angle_gamma 90 _cell_volume 443.121 _exptl_crystal_density_diffrn 2.391 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Al 0.00000 0.66600 0.00000 0.41000 0.00785 SiT 0.43700 0.67400 0.27200 0.75000 0.00152 BT 0.43700 0.67400 0.27200 0.25000 0.00152 K 0.50000 0.00000 0.50000 0.20000 0.00329 O-H 0.43300 0.00000 0.10000 1.00000 0.00443 O1 0.34700 0.71500 0.11600 1.00000 0.00469 O2 0.19200 0.72600 0.33000 1.00000 0.00861 O3 0.52000 0.50000 0.28700 1.00000 0.00481