data_global _chemical_name_mineral 'Ardealite' loop_ _publ_author_name 'Sakae T' 'Nagata H' 'Sudo T' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 520 _journal_page_last 527 _publ_section_title ; The crystal structure of synthetic calcium phosphate - sulfate hydrate, Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum ; _database_code_amcsd 0000666 _chemical_formula_sum 'Ca (S.5 P.5) O6 H4' _cell_length_a 5.721 _cell_length_b 30.992 _cell_length_c 6.250 _cell_angle_alpha 90 _cell_angle_beta 117.26 _cell_angle_gamma 90 _cell_volume 985.083 _exptl_crystal_density_diffrn 2.314 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 Ca1 0.50000 0.03830 0.25000 1.00000 0.01900 Ca2 0.59000 0.21200 0.42800 1.00000 0.01393 S1 0.99900 0.03880 0.74700 0.50000 0.00760 P1 0.99900 0.03880 0.74700 0.50000 0.00760 S2 0.59200 0.21110 0.93700 0.50000 0.02026 P2 0.59200 0.21110 0.93700 0.50000 0.02026 O1 0.94200 0.07000 0.54900 1.00000 0.02153 O2 0.03800 0.06320 0.97600 1.00000 0.02280 O3 0.77100 0.00980 0.67600 1.00000 0.02533 O4 0.25700 0.01510 0.82800 1.00000 0.02533 O5 0.41200 0.18520 0.71400 1.00000 0.03926 O6 0.73500 0.18090 0.14000 1.00000 0.02533 O7 0.77500 0.23540 0.87200 1.00000 0.02786 O8 0.43200 0.23990 0.00100 1.00000 0.01900 Wat1 0.37300 0.08750 0.49300 1.00000 0.03293 Wat2 0.61400 0.09310 0.01900 1.00000 0.02533 Wat3 0.22700 0.16200 0.20000 1.00000 0.03926 Wat4 0.94000 0.15540 0.65400 1.00000 0.03926