data_global _chemical_name_mineral 'Hillite' loop_ _publ_author_name 'Yakubovich O V' 'Massa W' 'Liferovich R P' 'Gavrilenko P G' 'Bogdanova A N' 'Tuisku P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 981 _journal_page_last 988 _publ_section_title ; Hillite, a new member of the fairfieldite group: Its description and crystal structure ; _database_code_amcsd 0005879 _chemical_formula_sum 'Ca2 (Zn.623 Mg.377) P2 O10 H4' _cell_length_a 5.736 _cell_length_b 6.767 _cell_length_c 5.462 _cell_angle_alpha 97.41 _cell_angle_beta 108.59 _cell_angle_gamma 107.19 _cell_volume 186.049 _exptl_crystal_density_diffrn 3.178 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz '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 Ca 0.30260 0.76050 0.65360 1.00000 0.01650 Zn 0.00000 0.00000 0.00000 0.62300 0.01590 Mg 0.00000 0.00000 0.00000 0.37700 0.01590 P 0.33530 0.24470 0.66550 1.00000 0.01450 O1 0.33750 0.12980 0.89470 1.00000 0.01720 O2 0.25720 0.07020 0.40780 1.00000 0.01820 O3 0.15630 0.37380 0.63440 1.00000 0.01730 O4 0.62220 0.38740 0.72020 1.00000 0.01760 O5 0.94930 0.27730 0.06920 1.00000 0.01700 H1 0.10500 0.38000 0.11800 1.00000 0.04500 H2 0.85700 0.31400 -0.05300 1.00000 0.04500 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 Ca 0.01380 0.01620 0.01750 0.00350 0.00470 0.00500 Zn 0.01390 0.01430 0.01780 0.00400 0.00430 0.00460 Mg 0.01390 0.01430 0.01780 0.00400 0.00430 0.00460 P 0.01260 0.01350 0.01570 0.00320 0.00390 0.00550 O1 0.01430 0.01820 0.01970 0.00520 0.00620 0.00850 O2 0.01550 0.01820 0.01730 0.00440 0.00340 0.00380 O3 0.01640 0.01630 0.01950 0.00580 0.00610 0.00670 O4 0.01370 0.01610 0.01940 0.00250 0.00380 0.00540 O5 0.01390 0.01520 0.01920 0.00340 0.00360 0.00680