data_global _chemical_name_mineral 'Pumpellyite-(Al)' loop_ _publ_author_name 'Artioli G' 'Geiger C A' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 20 _journal_year 1994 _journal_page_first 443 _journal_page_last 453 _publ_section_title ; The crystal chemistry of pumpellyite: An X-ray Rietveld refinement and 57Fe Mossbauer study Note: sample HR ; _database_code_amcsd 0007759 _chemical_compound_source 'Hicks Ranch, California' _chemical_formula_sum 'Si3 Al2.452 Fe.193 Mg.355 Ca2 O14 H4' _cell_length_a 8.8193 _cell_length_b 5.9042 _cell_length_c 19.1138 _cell_angle_alpha 90 _cell_angle_beta 97.433 _cell_angle_gamma 90 _cell_volume 986.909 _exptl_crystal_density_diffrn 3.217 _symmetry_space_group_name_H-M 'A 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,y,-z' '-x,1/2+y,1/2-z' 'x,-y,z' 'x,1/2-y,1/2+z' '-x,-y,-z' '-x,1/2-y,1/2-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 Si1 0.05380 0.00000 0.08940 1.00000 0.02100 Si2 0.16420 0.00000 0.24850 1.00000 0.02100 Si3 0.46900 0.00000 0.40130 1.00000 0.02100 AlX 0.50000 0.25000 0.25000 0.51200 0.02200 FeX 0.50000 0.25000 0.25000 0.13300 0.02200 MgX 0.50000 0.25000 0.25000 0.35500 0.02200 AlY 0.25190 0.24500 0.49590 0.97000 0.02200 FeY 0.25190 0.24500 0.49590 0.03000 0.02200 Ca1 0.25110 0.50000 0.33700 1.00000 0.01500 Ca2 0.19040 0.50000 0.15530 1.00000 0.01400 O1 0.13410 0.22900 0.07110 1.00000 0.01650 O2 0.26970 0.22200 0.24480 1.00000 0.01650 O3 0.37230 0.22800 0.41980 1.00000 0.01650 O4 0.12900 0.50000 0.44350 1.00000 0.01650 O-H5 0.13000 0.00000 0.45330 1.00000 0.01650 O6 0.36600 0.50000 0.04470 1.00000 0.01650 O-H7 0.37000 0.00000 0.03440 1.00000 0.01650 O8 0.03700 0.00000 0.17710 1.00000 0.01650 O9 0.48000 0.50000 0.17930 1.00000 0.01650 O-H10 0.06300 0.00000 0.31460 1.00000 0.01650 O-H11 0.50200 0.50000 0.31750 1.00000 0.01650