data_global _chemical_name_mineral 'Norbergite' loop_ _publ_author_name 'Camara F' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 1523 _journal_page_last 1530 _publ_section_title ; New data on the structure of norbergite: location of hydrogen by X-ray diffraction Sample: HV43 N4 ; _database_code_amcsd 0005535 _chemical_formula_sum '(Mg2.979 Fe.021) (Si.985 B.015) H.454 O4.462 F1.538' _cell_length_a 4.710 _cell_length_b 10.279 _cell_length_c 8.807 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 426.383 _exptl_crystal_density_diffrn 3.154 _symmetry_space_group_name_H-M 'P b n 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 MgM2 0.99139 0.90594 0.25000 0.99300 ? FeM2 0.99139 0.90594 0.25000 0.00700 ? MgM3 0.98973 0.63316 0.43062 0.99300 ? FeM3 0.98973 0.63316 0.43062 0.00700 ? Si 0.41998 0.71964 0.25000 0.98500 ? B 0.41998 0.71964 0.25000 0.01500 ? H 0.88100 0.99600 0.01100 0.22700 0.04370 O1 0.76216 0.72124 0.25000 1.00000 ? O2 0.27767 0.57417 0.25000 1.00000 ? O3 0.27011 0.79107 0.10415 1.00000 ? F5 0.73471 0.96786 0.08157 0.76900 ? O5 0.73471 0.96786 0.08157 0.23100 ? 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 MgM2 0.00595 0.00549 0.00975 0.00027 0.00000 0.00000 FeM2 0.00595 0.00549 0.00975 0.00027 0.00000 0.00000 MgM3 0.00613 0.00587 0.00580 -0.00021 0.00059 0.00021 FeM3 0.00613 0.00587 0.00580 -0.00021 0.00059 0.00021 Si 0.00351 0.00463 0.00458 0.00000 0.00000 0.00000 B 0.00351 0.00463 0.00458 0.00000 0.00000 0.00000 O1 0.00369 0.00654 0.00672 0.00031 0.00000 0.00000 O2 0.00573 0.00460 0.00749 -0.00004 0.00000 0.00000 O3 0.00501 0.00644 0.00520 -0.00005 -0.00019 0.00127 F5 0.00988 0.00738 0.00934 0.00087 -0.00279 -0.00016 O5 0.00988 0.00738 0.00934 0.00087 -0.00279 -0.00016