data_global _chemical_name_mineral 'Pseudolaueite' loop_ _publ_author_name 'Baur W H' _journal_name_full 'American Mineralogist' _journal_volume 54 _journal_year 1969 _journal_page_first 1312 _journal_page_last 1323 _publ_section_title ; A comparison of the crystal structures of pseudolaueite and laueite ; _database_code_amcsd 193 _chemical_formula_sum 'Mn Fe2 P2 O18 H18' _cell_length_a 9.647 _cell_length_b 7.428 _cell_length_c 10.194 _cell_angle_alpha 90.0 _cell_angle_beta 104.63 _cell_angle_gamma 90.0 _cell_volume 706.797 _exptl_crystal_density_diffrn 2.512 _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_U_iso_or_equiv Mn 0.0 0.0 0.0 0.01646 Fe 0.2466 0.1294 0.5015 0.0076 P 0.5117 0.3753 0.6823 0.01013 O1 0.1607 0.1001 0.6585 0.01267 O2 0.4368 0.2138 0.6033 0.01267 O3 0.0322 0.1554 0.8357 0.0152 O4 0.0734 0.0495 0.3592 0.0152 O-H5 0.6774 0.1205 0.4805 0.01267 Wat6 0.34 0.1676 0.3321 0.02786 Wat7 0.2461 0.9636 0.0818 0.02786 Wat8 0.0169 0.233 0.1276 0.02153 Wat9 0.3702 0.0573 0.8817 0.0228