data_global _chemical_name_mineral 'Brackebuschite' loop_ _publ_author_name 'Foley J A' 'Hughes J M' 'Lange D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 1027 _journal_page_last 1033 _publ_section_title ; The atomic arrangement of brackebuschite, redefined as Pb2(Mn,Fe)(VO4)2(OH), and comments on Mn octahedra ; _database_code_amcsd 0005530 _chemical_formula_sum 'Pb2 Mn V2 O9 H' _cell_length_a 7.650 _cell_length_b 6.135 _cell_length_c 8.863 _cell_angle_alpha 90 _cell_angle_beta 111.76 _cell_angle_gamma 90 _cell_volume 386.325 _exptl_crystal_density_diffrn 6.157 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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_U_iso_or_equiv Pb1 0.32780 -0.25000 0.40200 0.02546 Pb2 -0.26430 -0.25000 0.25140 0.02102 Mn 0.00000 0.00000 0.00000 0.00887 V1 0.55560 0.75000 0.82600 0.01267 V2 0.95800 0.75000 0.66150 0.00633 O1 0.49000 0.97800 0.70100 0.01900 O2 0.45200 0.75000 0.95500 0.03926 O3 0.79800 0.75000 0.93700 0.01267 O4 0.72900 0.75000 0.54200 0.04686 O5 -0.01000 0.00900 0.22000 0.02153 O6 0.07400 0.75000 0.53600 0.01900 O-H7 0.17500 0.75000 0.07900 0.02786