data_global _chemical_name_mineral 'Ghiaraite' loop_ _publ_author_name 'Thewalt U' 'Bugg C E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 615 _journal_page_last 617 _publ_section_title ; Crystal structure of calcium chloride tetrahydrate ; _database_code_amcsd 0020228 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Cl2 O4' _cell_length_a 6.593 _cell_length_b 6.364 _cell_length_c 8.557 _cell_angle_alpha 97.77 _cell_angle_beta 93.52 _cell_angle_gamma 110.56 _cell_volume 330.776 _exptl_crystal_density_diffrn 1.757 _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 Ca 0.11880 -0.01400 0.26150 Cl1 0.29100 -0.27770 0.05040 Cl2 -0.24950 -0.23930 0.41300 O1 -0.18230 -0.18710 0.04340 O2 -0.01520 0.28950 0.27150 O3 0.47880 0.24090 0.26630 O4 0.24930 -0.25090 0.41540 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 0.02323 0.01836 0.02981 0.00182 0.00105 -0.00351 Cl1 0.02818 0.02238 0.02370 0.00493 0.00418 -0.00050 Cl2 0.02399 0.02220 0.02658 -0.00274 0.00209 -0.00251 O1 0.02685 0.02342 0.03915 0.00146 0.00261 -0.00551 O2 0.03446 0.02238 0.03268 0.00784 -0.00183 0.00175 O3 0.03256 0.02884 0.02837 -0.00438 0.00837 -0.00601 O4 0.03503 0.02692 0.02909 0.01040 0.00105 -0.00226