data_global _chemical_name_mineral 'Drugmanite' loop_ _publ_author_name 'King G S D' 'Sengier-Roberts L' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 111 _journal_year 1988 _journal_page_first 431 _journal_page_last 437 _publ_section_title ; Drugmanite, Pb2(Fe0.78Al0.22)H(PO4)2(OH)2: Its crystal structure and place in the datolite group Note: anisoU's taken from ICSD ; _database_code_amcsd 0012089 _chemical_compound_source 'Richelle, Belgium' _chemical_formula_sum 'Pb2 (Fe.78 Al.22) P2 O10 H' _cell_length_a 11.111 _cell_length_b 7.986 _cell_length_c 4.643 _cell_angle_alpha 90 _cell_angle_beta 90.41 _cell_angle_gamma 90 _cell_volume 411.974 _exptl_crystal_density_diffrn 5.537 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-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 Pb 0.31395 0.09643 -0.00835 1.00000 0.13300 Fe 0.50000 0.50000 0.00000 0.78000 0.05300 Al 0.50000 0.50000 0.00000 0.22000 0.05300 P 0.60440 0.25670 0.48390 1.00000 0.09200 O2 0.50490 0.30090 0.27060 1.00000 0.13300 O3 0.72940 0.24330 0.34100 1.00000 0.18100 O4 0.61540 0.38510 0.73640 1.00000 0.15400 O5 0.35260 0.40660 0.83270 1.00000 0.11900 O-h1 0.57290 0.08410 0.62410 1.00000 0.16700 H 0.50000 0.00000 0.50000 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 Pb 0.00855 0.01789 0.01336 0.00298 0.00006 0.00000 Fe 0.00120 0.00600 0.00840 -0.00100 -0.00090 0.00110 Al 0.00120 0.00600 0.00840 -0.00100 -0.00090 0.00110 P 0.00700 0.01010 0.01030 -0.00130 -0.00070 -0.00010 O2 0.01150 0.01700 0.01130 -0.00280 0.00080 0.00440 O3 0.01280 0.02620 0.01510 0.00530 0.00110 0.00680 O4 0.00440 0.01600 0.02580 0.00280 -0.00460 -0.00540 O5 0.00630 0.01940 0.00970 -0.00630 -0.00750 0.00470 O-h1 0.01910 0.01160 0.01930 -0.00780 -0.00960 0.00720