data_global _chemical_name_mineral 'Decrespignyite-(Y)' loop_ _publ_author_name 'Rius J' 'Colombo F' 'Vallcorba O' 'Torrelles X' 'Gemmi M' 'Mugnaioli E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 32 _journal_year 2020 _journal_page_first 545 _journal_page_last 555 _publ_section_title ; Structural study of decrespignyite-(Y), a complex yttrium rare earth copper carbonate chloride, by three-dimensional electron and synchrotron powder diffraction ; _database_code_amcsd 0021222 _chemical_compound_source 'Paratoo copper mine, South Australia' _chemical_formula_sum 'Y12.21 Cu5.3 Ca.52 C14 Cl2.21 O70.79 H40.79' _cell_length_a 8.5462 _cell_length_b 8.5462 _cell_length_c 22.731 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1437.789 _exptl_crystal_density_diffrn 3.307 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-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 YM1 0.14327 -0.14327 0.06644 1.00000 0.01220 CuM2 0.54199 -0.54199 0.19926 0.55000 0.01220 YM2 0.54199 -0.54199 0.19926 0.45000 0.01220 YM3 0.33333 0.66667 0.68156 1.00000 0.01220 YM4 0.33333 0.66667 0.30972 0.74000 0.01220 CaM4 0.33333 0.66667 0.30972 0.26000 0.01220 YM5 0.33333 0.66667 0.43841 0.01000 0.01220 YM6 0.00000 0.00000 0.50000 0.01000 0.01220 Cu1 0.00000 0.00000 0.20259 0.60000 0.01220 Cu2 0.33333 0.66667 0.51064 0.40000 0.01220 C1 0.66667 -0.66667 -0.06644 1.00000 0.01220 C2 0.18441 -0.18441 0.18167 1.00000 0.01220 C3 0.18470 -0.18470 0.55526 1.00000 0.01220 Cl 0.66667 0.33333 0.10191 1.00000 0.01220 O-H1 0.00000 0.00000 0.00000 1.00000 0.01220 Wat2 -0.15916 0.15916 0.02790 0.50000 0.01220 O-H2 -0.15916 0.15916 0.02790 0.50000 0.01220 O-H3 0.00000 0.00000 0.87921 1.00000 0.01220 O4 0.57920 -0.57920 -0.06644 1.00000 0.01220 O5 0.05397 0.36634 0.15217 1.00000 0.01220 O6 0.21319 -0.21319 0.23535 1.00000 0.01220 O-H7 0.00000 0.00000 0.27660 0.89500 0.01220 Cl7 0.00000 0.00000 0.27660 0.10500 0.01220 O-H8 0.22152 -0.22152 0.75506 1.00000 0.01220 Wat9 0.51188 -0.51188 0.30260 0.50000 0.01220 O-H9 0.51188 -0.51188 0.30260 0.50000 0.01220 Wat10 -0.18073 0.18073 0.61520 1.00000 0.01220 O11 0.24197 -0.24197 0.59829 1.00000 0.01220 O12 0.10596 -0.10596 0.58048 1.00000 0.01220 O13 0.19557 -0.19557 0.49868 1.00000 0.01220