data_global _chemical_name_mineral 'Sheldrickite' loop_ _publ_author_name 'Grice J D' 'Gault R A' 'Van Velthuizen J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 181 _journal_page_last 187 _publ_section_title ; Sheldrickite, a new sodium-calcium-fluorocarbonate mineral species from Mont Saint-Hilaire, Quebec ; _database_code_amcsd 0005522 _chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Na Ca3 C2 O7 F3' _cell_length_a 6.726 _cell_length_b 6.726 _cell_length_c 15.044 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 589.397 _exptl_crystal_density_diffrn 2.842 _symmetry_space_group_name_H-M 'P 32' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,2/3+z' '-x+y,-x,1/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.00100 0.29700 0.16500 0.02300 Ca1 0.61610 -0.00090 0.00000 0.01100 Ca2 -0.00110 0.62840 0.00450 0.00800 Ca3 0.37060 0.37100 -0.00430 0.01600 C1 -0.43300 0.31700 0.16800 0.01200 C2 -0.56800 0.75200 0.16900 0.01300 O1 0.66400 0.34800 0.09000 0.01600 O2 0.66800 0.33300 0.23800 0.01300 O3 0.35300 0.27300 0.16700 0.01700 O4 0.32100 0.65400 -0.09200 0.01500 O5 0.33600 0.66600 -0.23900 0.01500 O6 -0.35400 0.92100 0.16500 0.02500 OW 0.20300 0.20200 -0.16900 0.02200 F1 0.99700 0.26600 0.01000 0.02300 F2 0.27100 0.00200 -0.00500 0.01800 F3 0.73000 0.73400 -0.02000 0.01500