data_global _chemical_name_mineral 'Maya Blue' loop_ _publ_author_name 'Giustetto R' 'Levy D' 'Chiari G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 629 _journal_page_last 640 _publ_section_title ; Crystal structure refinement of Maya Blue pigment prepared with deuterated indigo, using neutron powder diffraction ; _database_code_amcsd 0007166 _chemical_compound_source 'starting palygorskite from Chapas, Mexico' _chemical_formula_sum '(Mg1.12 Al.82 Fe.06) Si4 O15.06 D5.01 C.48 N.06 H1.06' _cell_length_a 13.338 _cell_length_b 17.795 _cell_length_c 5.265 _cell_angle_alpha 90 _cell_angle_beta 105.46 _cell_angle_gamma 90 _cell_volume 1204.430 _exptl_crystal_density_diffrn 2.337 _symmetry_space_group_name_H-M 'C 1 2/m 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' '-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 _atom_site_U_iso_or_equiv Mg2 0.00000 0.08800 0.50000 0.56000 0.12000 Al2 0.00000 0.08800 0.50000 0.41000 0.12000 Fe2 0.00000 0.08800 0.50000 0.03000 0.12000 Mg3 0.00000 0.19100 0.00000 0.56000 0.12000 Al3 0.00000 0.19100 0.00000 0.41000 0.12000 Fe3 0.00000 0.19100 0.00000 0.03000 0.12000 Si1 0.18900 0.09020 0.13200 1.00000 0.40000 Si2 0.20600 0.17680 0.64000 1.00000 0.40000 O1 0.06900 0.09100 0.14900 1.00000 0.07600 O2 0.08500 0.18500 0.65700 1.00000 0.07600 O-H 0.10900 0.00000 0.64000 1.00000 0.07600 Ow1 0.08100 0.29200 -0.01600 1.00000 0.07600 DWH1 0.12000 0.32000 0.13000 0.21000 0.01800 O3 0.21500 0.00000 0.11000 1.00000 0.07600 O4 0.25000 0.25000 0.50000 1.00000 0.07600 O5 0.23100 0.11160 0.44600 1.00000 0.07600 O6 0.24400 0.14500 0.94800 1.00000 0.07600 OZW1 0.00000 0.29800 0.50000 0.40000 0.01800 DZW1* -0.02000 0.33900 0.36400 0.18000 0.01800 DZW1^ -0.03700 0.27200 0.35000 0.37000 0.01800 OZW2 -0.03900 0.42500 0.21500 0.40000 0.01800 DZW2* 0.10000 0.44000 0.88000 0.08000 0.01800 DZW2** 0.02200 0.44800 0.18000 0.08000 0.01800 DZW2^ 0.06200 0.38500 0.69000 0.18000 0.01800 DZW2^^ -0.06000 0.41800 0.03800 0.18000 0.01800 DZW2* 0.09000 0.39900 0.73000 0.15000 0.01800 DZW2** 0.06000 0.41000 0.95000 0.15000 0.01800 OZW3 0.14200 0.50000 0.17100 0.80000 0.01800 DZW3* 0.17300 0.45500 0.15000 0.23000 0.01800 DZW3^ 0.18500 0.50000 0.08000 0.57000 0.01800 DZW3^^ 0.08800 0.48300 0.06000 0.29000 0.01800 C1 -0.00500 0.50000 0.35930 0.06000 0.04800 C2 -0.01000 0.42400 0.19200 0.03000 0.04800 C3 -0.01900 0.45600 -0.08000 0.06000 0.04800 C4 -0.03000 0.41800 -0.32600 0.06000 0.04800 C5 -0.03000 0.46200 -0.55500 0.06000 0.04800 N1 -0.01000 0.56500 0.19300 0.03000 0.04800 Oin -0.00800 0.35600 0.25600 0.03000 0.04800 H1 -0.00800 0.61800 0.24300 0.03000 0.04800 D4 -0.03000 0.36100 -0.32700 0.06000 0.04800 D5 -0.04000 0.43300 -0.72500 0.06000 0.04800