data_global _chemical_name_mineral 'Descloizite' loop_ _publ_author_name 'Hawthorne F C' 'Faggiani R' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 717 _journal_page_last 720 _publ_section_title ; Refinement of the structure of descloizite Note: anisoB's from ICSD ; _database_code_amcsd 0009663 _chemical_formula_sum 'Pb Zn V O5 H' _cell_length_a 7.593 _cell_length_b 6.057 _cell_length_c 9.416 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 433.049 _exptl_crystal_density_diffrn 6.205 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Pb 0.12880 0.25000 0.17590 0.01659 Zn 0.50000 0.00000 0.00000 0.01532 V 0.86720 0.75000 0.18820 0.01089 O1 0.87200 0.51080 0.29000 0.01646 O2 0.04300 0.75000 0.08610 0.02280 O3 0.68840 0.75000 0.06920 0.01393 O-H 0.64570 0.25000 0.06500 0.02026 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 0.01782 0.02082 0.01123 0.00000 0.00000 0.00000 Zn 0.02103 0.00966 0.01527 -0.00140 -0.00072 -0.00260 V 0.01344 0.01115 0.00808 0.00000 -0.00217 0.00000 O1 0.02979 0.00353 0.01707 0.01491 -0.00869 -0.00087 O2 0.00818 0.04200 0.01931 0.00000 -0.00036 0.00000 O3 0.00876 0.02583 0.00629 0.00000 0.00290 0.00000 O-H 0.02862 0.02435 0.00943 0.00000 -0.01159 0.00000