data_global _chemical_name_mineral 'Pumpellyite-(Mg)' loop_ _publ_author_name 'Galli E' 'Alberti A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 25 _journal_year 1969 _journal_page_first 2276 _journal_page_last 2281 _publ_section_title ; On the crystal structure of pumpellyite ; _database_code_amcsd 0009365 _chemical_formula_sum 'Al2.71 Mg.45 Fe.15 Ca1.9 Si2.79 O14 H3' _cell_length_a 8.83 _cell_length_b 5.9 _cell_length_c 19.17 _cell_angle_alpha 90 _cell_angle_beta 97.12 _cell_angle_gamma 90 _cell_volume 990.998 _exptl_crystal_density_diffrn 3.177 _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 Al 0.50000 0.25000 0.25000 0.50000 0.00722 Mg 0.50000 0.25000 0.25000 0.35000 0.00722 Fe 0.50000 0.25000 0.25000 0.15000 0.00722 Ca1 0.25020 0.50000 0.33950 0.95000 0.00443 Mg1 0.25020 0.50000 0.33950 0.05000 0.00443 Ca2 0.18950 0.50000 0.15500 0.95000 0.01203 Mg2 0.18950 0.50000 0.15500 0.05000 0.01203 Si1 0.04840 0.00000 0.09070 0.93000 0.00418 Al1 0.04840 0.00000 0.09070 0.07000 0.00418 Si2 0.16740 0.00000 0.24820 0.93000 0.00481 Al2 0.16740 0.00000 0.24820 0.07000 0.00481 Si3 0.46610 0.00000 0.40210 0.93000 0.00139 Al3 0.46610 0.00000 0.40210 0.07000 0.00139 Al 0.25410 0.24540 0.49640 1.00000 0.00101 O1 0.13600 0.22180 0.06850 1.00000 0.00709 O2 0.26740 0.23180 0.24440 1.00000 0.01089 O3 0.36840 0.22200 0.42090 1.00000 0.00735 O4 0.13040 0.50000 0.44480 1.00000 0.00342 O-H5 0.12830 0.00000 0.45580 1.00000 0.00481 O6 0.36950 0.50000 0.04450 1.00000 0.00469 O-H7 0.36650 0.00000 0.03380 1.00000 0.00089 O8 0.03760 0.00000 0.17790 1.00000 0.00393 O9 0.47460 0.50000 0.17640 1.00000 0.00507 O10 0.06670 0.00000 0.31520 1.00000 0.00507 O-H11 0.49920 0.50000 0.31290 1.00000 0.00304