data_global #============================================================================== # PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_paper_category ? _journal_techeditor_code ? _iucr_compatibility_tag ACTA95 _journal_techeditor_notes ; ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== _chemical_name_mineral 'Mg perchlorate dihydrate' _cell_length_a 14.38396(50) _cell_length_b 5.21789(15) _cell_length_c 5.43668(19) _cell_angle_alpha 90 _cell_angle_beta 108.2076(17) _cell_angle_gamma 90 _cell_volume 387.614(23) _symmetry_space_group_name_H-M C2 loop_ _symmetry_equiv_pos_as_xyz '-x, y, -z' '-x+1/2, y+1/2, -z' 'x, y, z' 'x+1/2, y+1/2, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv Mg Mg+2 2 0 -0.01864 0.5 1 0.8 Cl1 Cl-1 4 0.62578 0.97503 0.83043 1 0.4 O1 O-2 4 0.38167 0.51574 0.64837 1 1.2 O2 O-2 4 0.32043 1.00791 0.89 1 1.2 O3 O-2 4 0.05762 0.25564 0.79317 1 1.2 O4 O-2 4 0.31265 0.96112 0.34525 1 1.2 O5 O-2 4 0.43874 0.20176 0.21606 1 1.2