data_global _chemical_name_mineral 'Heidornite' loop_ _publ_author_name 'Burzlaff H' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1967 _journal_year 1967 _journal_page_first 157 _journal_page_last 169 _publ_section_title ; Die struktur des heidornit Ca3Na2Cl(SO4)2B5O8(OH)2 ; _database_code_amcsd 0014732 _chemical_formula_sum 'Ca3 Na2 Cl S2 O18 B5 H2' _cell_length_a 10.21 _cell_length_b 7.84 _cell_length_c 18.79 _cell_angle_alpha 90 _cell_angle_beta 93.5 _cell_angle_gamma 90 _cell_volume 1501.267 _exptl_crystal_density_diffrn 2.698 _symmetry_space_group_name_H-M 'C 1 2/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' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.00000 0.39330 0.25000 0.00393 Ca2 0.41000 0.24250 0.40308 0.00595 Na 0.15640 0.27810 0.07700 0.01963 Cl 0.00000 0.00000 0.00000 0.01292 S 0.13710 0.47790 0.42205 0.00595 O11 0.01290 0.45370 0.37570 0.01672 O12 0.14070 0.35310 0.47950 0.02014 O13 0.25030 0.45550 0.37800 0.01963 O14 0.13500 0.65340 0.45020 0.01646 B1 0.33480 0.48660 0.18290 0.00760 B2 0.26200 0.23140 0.25040 0.00633 B3 0.50000 0.30540 0.25000 0.01127 O21 0.15520 0.14190 0.27170 0.01077 O22 0.22780 0.37160 0.20980 0.00849 O23 0.46160 0.40040 0.18450 0.00912 O24 0.38990 0.18930 0.27060 0.00975 O25 0.27990 0.53550 0.11160 0.00975 H 0.19340 0.01670 0.44650 0.00912