data_global _chemical_name_mineral 'Theoparacelsite' loop_ _publ_author_name 'Sarp H' 'Cerny R' _journal_name_full 'Archives des Sciences, Geneve' _journal_volume 54 _journal_year 2001 _journal_page_first 7 _journal_page_last 14 _publ_section_title ; Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure ; _database_code_amcsd 0012036 _chemical_compound_source 'near Nice, France' _chemical_formula_sum 'Cu As.667 O3 H.667' _cell_length_a 8.3212 _cell_length_b 2.9377 _cell_length_c 4.6644 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 114.022 _exptl_crystal_density_diffrn 4.723 _symmetry_space_group_name_H-M 'P m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,z' '-x,y,-z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,y,-z' '1/2-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu 0.00000 0.00000 0.00000 1.00000 0.01970 As 0.25000 0.50000 0.54430 0.66667 0.02630 O-H1 0.08760 0.50000 0.77980 0.22222 0.02120 O1 0.08760 0.50000 0.77980 0.77778 0.02120 O-H2 0.25000 0.00000 0.36800 0.22222 0.10200 O2 0.25000 0.00000 0.36800 0.77778 0.10200