data_global _chemical_name_mineral 'Crocoite' loop_ _publ_author_name 'Knight K S' _journal_name_full 'Mineralogical Magazine' _journal_volume 64 _journal_year 2000 _journal_page_first 291 _journal_page_last 300 _publ_section_title ; A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K: crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K Sample: the high temperature form at T = 1073 K ; _database_code_amcsd 0014540 _chemical_compound_source 'Dundas, Tasmania' _chemical_formula_sum 'Pb Cr O4' _cell_length_a 8.79861 _cell_length_b 5.73422 _cell_length_c 7.27402 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 366.997 _exptl_crystal_density_diffrn 5.849 _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 0.18170 0.25000 0.16410 0.12900 Cr 0.05920 0.25000 0.68240 0.06100 O1 0.18820 0.25000 0.53380 0.13400 O2 0.88970 0.25000 0.59740 0.14700 O3 0.07720 0.01500 0.81210 0.12800