data_global _chemical_name_mineral 'Trigonite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 25 _journal_year 1978 _journal_page_first 95 _journal_page_last 105 _publ_section_title ; The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH)) ; _database_code_amcsd 0015671 _chemical_compound_source 'Langban, Varmland, Sweden' _chemical_formula_sum 'Pb3 Mn As3 O9 H' _cell_length_a 7.26 _cell_length_b 6.78 _cell_length_c 11.09 _cell_angle_alpha 90 _cell_angle_beta 91.5 _cell_angle_gamma 90 _cell_volume 545.694 _exptl_crystal_density_diffrn 6.368 _symmetry_space_group_name_H-M 'P 1 n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb1 0.00000 0.12450 0.00000 0.01153 Pb2 0.19760 0.35230 0.29010 0.01153 Pb3 0.28520 0.27460 0.71360 0.01191 Mn 0.49480 0.01830 0.95560 0.00659 As1 0.21120 0.79570 0.72090 0.00773 As2 0.26620 0.88940 0.19510 0.00912 As3 0.42170 0.48680 0.01030 0.01115 O1 0.26900 0.99600 0.82500 0.01900 O2 0.43600 0.70300 0.67900 0.01520 O3 0.19500 0.94800 0.59200 0.01393 O4 0.20600 0.02800 0.32000 0.00507 O5 0.04600 0.82200 0.12400 0.00507 O6 0.28100 0.10100 0.09900 0.02406 O7 0.47300 0.33600 0.88500 0.01900 O8 0.00800 0.28900 0.45700 0.02153 O-H9 0.17500 0.54600 0.96700 0.02533 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 Pb1 0.01001 0.01545 0.00925 -0.00101 0.00013 -0.00089 Pb2 0.01076 0.01000 0.01368 -0.00291 0.00051 0.00114 Pb3 0.00962 0.01203 0.01406 0.00203 0.00013 0.00152 Mn 0.00659 0.01039 0.00304 0.00025 -0.00089 0.00519 As1 0.00557 0.00975 0.00798 -0.00545 -0.00152 0.00228 As2 0.00608 0.00380 0.01748 0.00114 0.00228 0.00127 As3 0.01317 0.00519 0.01494 -0.00456 0.00456 -0.00190