data_global _chemical_name_mineral 'Karlite' loop_ _publ_author_name 'Bonazzi P' 'Menchetti S' 'Sabelli C' 'Trosti-Ferroni R' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1986 _journal_year 1986 _journal_page_first 253 _journal_page_last 262 _publ_section_title ; Karlite: crystal structure and chemical composition ; _database_code_amcsd 0014800 _chemical_compound_source 'Tauern Window, Schleigeistal, Zillertaler, Alpen, Austria' _chemical_formula_sum 'Mg12.1 Al.6 Fe.3 B6 O26 H8 Cl.8' _cell_length_a 17.6370 _cell_length_b 17.967 _cell_length_c 3.1040 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 983.608 _exptl_crystal_density_diffrn 2.851 _symmetry_space_group_name_H-M 'P 21 21 2' loop_ _space_group_symop_operation_xyz 'x,y,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 0.42590 0.19840 0.99900 0.60000 0.00671 Al1 0.42590 0.19840 0.99900 0.30000 0.00671 Fe2+1 0.42590 0.19840 0.99900 0.03300 0.00671 Fe3+1 0.42590 0.19840 0.99900 0.06700 0.00671 Mg2 0.29850 0.10890 0.49800 1.00000 0.00367 Mg3 0.35960 0.36010 0.44700 1.00000 0.00899 Mg4 0.12650 0.14300 0.95600 1.00000 0.00595 Mg5 0.22950 0.43030 0.96000 1.00000 0.00608 Mg6 0.11080 0.29290 0.47000 1.00000 0.00659 Mg7 0.00000 0.00000 0.23000 0.90000 0.01127 Fe7 0.00000 0.00000 0.23000 0.10000 0.01127 B1 0.25820 0.25550 0.96800 1.00000 0.00583 B2 0.15270 0.02450 0.58500 1.00000 0.00836 B3 0.48690 0.32750 0.60200 1.00000 0.00646 O2 0.30450 0.19380 0.00300 1.00000 0.01115 O3 0.17970 0.24720 0.95400 1.00000 0.00380 O4 0.29150 0.32710 0.95300 1.00000 0.00393 O6 0.06430 0.18520 0.44500 1.00000 0.00659 O8 0.08160 0.03010 0.76400 1.00000 0.00633 O9 0.30780 0.45690 0.46400 1.00000 0.00722 O11 0.18700 0.09180 0.47000 1.00000 0.00722 O12 0.45560 0.39140 0.77200 1.00000 0.00861 O13 0.43350 0.27440 0.48400 1.00000 0.00887 O-h1 0.16080 0.39540 0.46700 1.00000 0.01001 O-h5 0.03940 0.32280 0.99100 1.00000 0.00785 O-h7 0.41040 0.12910 0.50400 1.00000 0.00950 O-h10 0.31430 0.03510 0.99800 1.00000 0.00861 H1 0.11400 0.42600 0.46000 1.00000 0.02533 H2 0.02600 0.37800 0.97600 1.00000 0.02533 H3 0.05800 0.58300 0.51300 1.00000 0.02533 H4 0.13000 0.52500 0.98400 1.00000 0.02533 Cl 0.00000 0.50000 0.94300 0.80000 0.00203