data_global _chemical_name_mineral 'Aluminoceladonite' loop_ _publ_author_name 'Pavese A' 'Ferraris G' 'Prencipe M' 'Ibberson R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 9 _journal_year 1997 _journal_page_first 1183 _journal_page_last 1190 _publ_section_title ; Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study Note: at T = 293 K ; _database_code_amcsd 0006704 _chemical_compound_source 'Dora-Maira massif, western Alps' _chemical_formula_sum 'K Al1.788 Mg.64 Si3.572 O12 H2' _cell_length_a 5.21379 _cell_length_b 5.21379 _cell_length_c 29.7382 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 700.088 _exptl_crystal_density_diffrn 2.827 _symmetry_space_group_name_H-M 'P 31 1 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,y,1/3-z' '-y,x-y,1/3+z' '-y,-x,2/3-z' '-x+y,-x,2/3+z' 'x,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 K 0.12900 0.25800 0.16667 1.00000 0.03400 AlM2 0.77200 0.88600 0.00000 1.00000 0.01900 AlM3 0.43800 0.21900 0.00000 0.36000 0.03300 MgM3 0.43800 0.21900 0.00000 0.64000 0.03300 SiT1 0.78500 0.57700 0.08940 0.78600 0.02100 AlT1 0.78500 0.57700 0.08940 0.21400 0.02100 SiT2 0.46600 0.92000 0.09100 1.00000 0.02100 O1 0.75600 0.56900 0.03530 1.00000 0.02100 O2 0.49100 0.93400 0.03680 1.00000 0.02500 O3 0.66100 0.78100 0.11230 1.00000 0.03700 O4 0.12300 0.71200 0.10730 1.00000 0.02400 O5 0.61300 0.25200 0.11400 1.00000 0.02100 O6 0.12000 0.19700 0.03570 1.00000 0.02800 H 0.14700 0.38700 0.03790 1.00000 0.07700