data_global _chemical_name_mineral 'Chlorartinite' loop_ _publ_author_name 'Sugimoto K' 'Dinnebier R E' 'Schlecht T' _journal_name_full 'Journal of Applied Crystallography' _journal_volume 39 _journal_year 2006 _journal_page_first 739 _journal_page_last 744 _publ_section_title ; Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite ; _database_code_amcsd 0019537 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg2 C O7 Cl H7' _cell_length_a 23.14422 _cell_length_b 23.14422 _cell_length_c 7.22333 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3350.836 _exptl_crystal_density_diffrn 1.919 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 0.28470 0.11930 -0.07370 1.00000 0.02090 Mg2 0.28000 0.31490 0.33670 1.00000 0.01840 C 0.30460 0.23080 0.04230 1.00000 0.01360 O2 0.29590 0.18450 0.15320 1.00000 0.01360 O3 0.32070 0.22570 -0.12680 1.00000 0.01360 O4 0.31890 0.28730 0.11510 1.00000 0.01360 Cl 0.15058 0.19895 -0.18240 1.00000 0.03080 O-H5 0.26600 0.23740 0.50350 1.00000 0.00300 Wat1 0.18590 0.09370 -0.09180 1.00000 0.07400 Wat6 0.18850 0.27660 0.17320 1.00000 0.02900 Wat7 0.01130 0.07040 -0.03500 0.40000 0.14400 Wat8 0.00780 0.08460 -0.24600 0.60000 0.14100