data_global _chemical_name_mineral 'Argesite' loop_ _publ_author_name 'Demartin F' 'Campostrini I' 'Castellano C' 'Gramaccioli C M' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1446 _journal_page_last 1451 _publ_section_title ; Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion ; _database_code_amcsd 0019257 _chemical_compound_source 'La Fossa Crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Bi9 Cl43.728 Br4.272 N17.373 H21 K3.627' _cell_length_a 13.093 _cell_length_b 13.093 _cell_length_c 102.682 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 15244.153 _exptl_crystal_density_diffrn 2.731 _symmetry_space_group_name_H-M 'R -3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,1/2+z' '2/3+x,1/3+x-y,5/6+z' '1/3+x,2/3+x-y,1/6+z' 'y,x,1/2-z' '2/3+y,1/3+x,5/6-z' '1/3+y,2/3+x,1/6-z' '-x+y,y,1/2+z' '2/3-x+y,1/3+y,5/6+z' '1/3-x+y,2/3+y,1/6+z' '-x,-x+y,1/2-z' '2/3-x,1/3-x+y,5/6-z' '1/3-x,2/3-x+y,1/6-z' '-y,-x,1/2+z' '2/3-y,1/3-x,5/6+z' '1/3-y,2/3-x,1/6+z' 'x-y,-y,1/2-z' '2/3+x-y,1/3-y,5/6-z' '1/3+x-y,2/3-y,1/6-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Bi1 0.66697 0.66628 0.06152 1.00000 0.03218 Bi2 0.33333 0.66667 0.00171 1.00000 0.02618 Bi3 0.33333 0.66667 0.16667 1.00000 0.03851 Cl1 0.42424 0.53716 0.06176 1.00000 0.03380 Cl2 0.90924 0.77942 0.06175 1.00000 0.03330 Cl3 0.66682 0.50816 0.04497 1.00000 0.03920 Cl4 0.66707 0.79390 0.04221 0.77800 0.06230 Br4 0.66707 0.79390 0.04221 0.22200 0.06230 Cl5 0.66667 0.51733 0.08333 1.00000 0.03100 Cl6 0.66667 0.81028 0.08333 0.68600 0.05730 Br6 0.66667 0.81028 0.08333 0.31400 0.05730 Cl7 0.37243 0.51729 0.01537 0.66700 0.08650 Br7 0.37243 0.51729 0.01537 0.33300 0.08650 Cl8 0.34075 0.83637 -0.01554 1.00000 0.04580 Cl9 0.19199 0.47653 0.18176 1.00000 0.08430 N1 0.33780 0.99180 0.01178 1.00000 0.04600 H1 0.33780 0.99180 0.01178 4.00000 0.04600 N2 0.66667 1.04910 0.08333 0.64300 0.04260 H2 0.66667 1.04910 0.08333 2.57000 0.04260 K2 0.66667 1.04910 0.08333 0.35700 0.04260 N3 0.33370 0.95776 -0.03825 0.73800 0.03950 H3 0.33370 0.95776 -0.03825 2.95000 0.03950 K3 0.33370 0.95776 -0.03825 0.26200 0.03950 N4 0.33333 0.66667 0.04085 0.50800 0.07350 H4 0.33333 0.66667 0.04085 2.03000 0.07350 K4 0.33333 0.66667 0.04085 0.49200 0.07350 N5 0.33333 0.66667 0.08236 1.00000 0.02520 H5 0.33333 0.66667 0.08236 4.00000 0.02520 N6 0.00000 0.00000 0.04037 1.00000 0.04610 H6 0.00000 0.00000 0.04037 4.00000 0.04610 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 Bi1 0.01539 0.04562 0.02683 0.00872 -0.00050 -0.00100 Bi2 0.03031 0.03031 0.01793 0.01515 0.00000 0.00000 Bi3 0.01684 0.01684 0.08180 0.00842 0.00000 0.00000 Cl1 0.02680 0.04580 0.03560 0.02330 0.00140 0.00100 Cl2 0.02700 0.02860 0.03250 0.00510 0.00140 -0.00190 Cl3 0.01540 0.03790 0.05710 0.00790 0.00040 -0.03040 Cl4 0.08690 0.05900 0.04830 0.04210 0.00030 0.01410 Br4 0.08690 0.05900 0.04830 0.04210 0.00030 0.01410 Cl5 0.02190 0.03040 0.03780 0.01110 -0.00090 -0.00040 Cl6 0.09300 0.04820 0.04560 0.04650 -0.00310 -0.00150 Br6 0.09300 0.04820 0.04560 0.04650 -0.00310 -0.00150 Cl7 0.07210 0.05980 0.14420 0.04560 0.01290 0.01510 Br7 0.07210 0.05980 0.14420 0.04560 0.01290 0.01510 Cl8 0.04660 0.05320 0.05090 0.03510 -0.00840 -0.00280 Cl9 0.04060 0.03670 0.17360 0.01770 0.01830 -0.00440