data_global _chemical_name_mineral 'Celadonite' loop_ _publ_author_name 'Tsipurskij S I' 'Drits V A' _journal_name_full 'Mineralogiceskij Zhurnal' _journal_volume 8 _journal_year 1986 _journal_page_first 32 _journal_page_last 40 _publ_section_title ; Refining the crystallographic structure of celadonite ; _database_code_amcsd 0019223 _chemical_formula_sum 'K (Fe1.22 Mg.78) Si4 O12 H2' _cell_length_a 5.223 _cell_length_b 9.047 _cell_length_c 10.197 _cell_angle_alpha 90 _cell_angle_beta 100.43 _cell_angle_gamma 90 _cell_volume 473.872 _exptl_crystal_density_diffrn 3.031 _symmetry_space_group_name_H-M 'C 1 2 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K 0.50000 0.00000 0.50000 1.00000 FeM1 0.50000 0.16614 0.00000 0.87000 MgM1 0.50000 0.16614 0.00000 0.13000 MgM2 0.50000 0.83228 0.00000 0.65000 FeM2 0.50000 0.83228 0.00000 0.35000 Si1 0.41432 0.33287 0.27331 1.00000 Si2 0.41281 0.66758 0.27267 1.00000 O1 0.18659 0.25098 0.33323 1.00000 O2 0.44305 0.50052 0.33074 1.00000 O3 0.68887 0.25503 0.33407 1.00000 O4 0.39645 0.00156 0.11257 1.00000 O5 0.37812 0.33172 0.11294 1.00000 O6 0.85604 0.17902 0.11419 1.00000 H 0.24700 0.00200 0.09300 1.00000 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 K 0.05370 0.05090 0.04580 0.00000 0.00540 0.00000 FeM1 0.04780 0.01160 0.04820 0.00000 0.00870 0.00000 MgM1 0.04780 0.01160 0.04820 0.00000 0.00870 0.00000 MgM2 0.03060 0.01030 0.06120 0.00000 0.02310 0.00000 FeM2 0.03060 0.01030 0.06120 0.00000 0.02310 0.00000 Si1 0.05630 0.04830 0.04850 -0.00020 0.02140 0.01210 Si2 0.06280 0.02870 0.04880 0.00590 0.01930 0.00710 O1 0.08380 0.04930 0.02980 0.00390 0.01930 0.01870 O2 0.05300 0.04240 0.06060 -0.00290 0.01010 0.00470 O3 0.05760 0.04510 0.06370 0.00040 0.02380 -0.00390 O4 0.04630 0.07130 0.05160 0.00610 0.01860 0.01920 O5 0.07100 0.04850 0.04880 0.00270 0.02350 0.00950 O6 0.06990 0.04450 0.04900 0.00900 0.01300 0.00260