data_global _chemical_name_mineral 'Cechite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1989 _journal_year 1989 _journal_page_first 34 _journal_page_last 40 _publ_section_title ; The crystal structure of cechite, Pb(Fe,Mn)(VO4)(OH) with Fe>Mn. A mineral of the descloizite group ; _database_code_amcsd 0014834 _chemical_compound_source 'Vrancice, Bohemian pluton, Pribram, Czechoslovakia (Czech Republic)' _chemical_formula_sum 'Pb (Fe.8 Mn.2) V O5 H' _cell_length_a 7.605 _cell_length_b 9.435 _cell_length_c 6.099 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 437.623 _exptl_crystal_density_diffrn 5.992 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-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 Pb 0.13061 0.17430 0.25000 1.00000 Fe 0.50000 0.00000 0.00000 0.80000 Mn 0.50000 0.00000 0.00000 0.20000 V 0.86470 0.19070 0.75000 1.00000 O1 0.87510 0.29380 0.51130 1.00000 O2 0.03990 0.08510 0.75000 1.00000 O3 0.68650 0.07580 0.75000 1.00000 O-H 0.65070 0.06930 0.25000 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 0.02010 0.01430 0.01910 0.00020 0.00000 0.00000 Fe 0.01820 0.01210 0.00820 0.00050 -0.00030 -0.00020 Mn 0.01820 0.01210 0.00820 0.00050 -0.00030 -0.00020 V 0.01580 0.01130 0.00700 -0.00210 0.00000 0.00000 O1 0.02580 0.01580 0.01100 -0.00420 0.00090 0.00120 O2 0.01550 0.02230 0.04020 -0.00160 0.00000 0.00000 O3 0.01770 0.01640 0.00910 -0.00490 0.00000 0.00000 O-H 0.01860 0.00860 0.01020 0.00000 0.00000 0.00000