data_global _chemical_name_mineral 'Natronambulite' loop_ _publ_author_name 'Nagashima M' 'Armbruster T' 'Kolitsch U' 'Pettke T' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1462 _journal_page_last 1470 _publ_section_title ; The relation between Li <-> Na substitution and hydrogen bonding in five-periodic single-chain silicates nambulite and marsturite: A single-crystal X-ray study ; _database_code_amcsd 0020224 _chemical_compound_source 'Gozaisho mine, Iwaki, Japan' _chemical_formula_sum 'Na.724 Li.276 Mn3.568 Mg.22 Ca.212 Si5 O15 H' _cell_length_a 7.6115 _cell_length_b 11.7340 _cell_length_c 6.7324 _cell_angle_alpha 92.876 _cell_angle_beta 94.846 _cell_angle_gamma 106.650 _cell_volume 572.278 _exptl_crystal_density_diffrn 3.539 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv NaM5 0.67662 0.14334 0.37012 0.72400 0.01860 LiM5 0.64510 0.11230 0.32800 0.27600 0.01860 MnM1 0.59207 0.65370 0.06309 1.00000 0.00988 MnM2 0.80995 0.94141 0.12595 1.00000 0.00992 MnM3 0.04032 0.23520 0.17572 0.78000 0.00907 MgM3 0.04032 0.23520 0.17572 0.22000 0.00907 MnM4 0.24236 0.51541 0.26632 0.78800 0.01396 Ca4 0.24236 0.51541 0.26632 0.21200 0.01396 Si1 0.27118 0.05933 0.35868 1.00000 0.00779 Si2 0.46769 0.32896 0.42677 1.00000 0.00794 Si3 0.81426 0.45278 0.21928 1.00000 0.00730 Si4 0.00041 0.72396 0.30440 1.00000 0.00734 Si5 0.34520 0.85400 0.12056 1.00000 0.00749 O1 0.18836 0.00843 0.56095 1.00000 0.01305 O2 0.11946 0.06725 0.18303 1.00000 0.00978 O3 0.42790 0.18450 0.42510 1.00000 0.01650 O4 0.32721 0.35159 0.25068 1.00000 0.01014 O5 0.52935 0.61187 0.35476 1.00000 0.01261 O6 0.68649 0.37629 0.38082 1.00000 0.01264 O7 0.97520 0.39628 0.17223 1.00000 0.01464 O8 0.67927 0.46847 0.03237 1.00000 0.01050 O9 0.92518 0.58268 0.33770 1.00000 0.01334 O10 0.87607 0.76526 0.13216 1.00000 0.00959 O11 -0.01209 0.20530 0.48146 1.00000 0.01360 O12 0.21059 0.74522 0.23715 1.00000 0.01179 O13 0.53060 0.82388 0.07655 1.00000 0.01090 O14 0.77051 0.11940 0.07460 1.00000 0.01116 O15 0.39211 0.97274 0.28226 1.00000 0.01218 H1 0.11200 -0.07490 0.54400 0.70000 0.05000 H11 -0.05300 0.11788 0.47100 0.30000 0.05000 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 NaM5 0.01100 0.02710 0.01590 0.00290 0.00250 -0.00170 LiM5 0.01100 0.02710 0.01590 0.00290 0.00250 -0.00170 MnM1 0.00860 0.01079 0.00917 0.00098 0.00129 0.00097 MnM2 0.01043 0.00954 0.00970 0.00258 0.00196 0.00050 MnM3 0.00878 0.00843 0.00972 0.00198 0.00117 0.00079 MgM3 0.00878 0.00843 0.00972 0.00198 0.00117 0.00079 MnM4 0.01114 0.01402 0.01337 -0.00088 -0.00135 0.00102 Ca4 0.01114 0.01402 0.01337 -0.00088 -0.00135 0.00102 Si1 0.00890 0.00650 0.00737 0.00152 0.00023 0.00048 Si2 0.00906 0.00698 0.00650 0.00034 0.00042 0.00098 Si3 0.00693 0.00734 0.00770 0.00197 0.00108 0.00151 Si4 0.00744 0.00653 0.00758 0.00148 0.00013 0.00048 Si5 0.00681 0.00856 0.00727 0.00262 0.00044 0.00054 O1 0.01650 0.01230 0.00880 0.00110 0.00320 0.00180 O2 0.01020 0.01180 0.00790 0.00440 0.00000 0.00060 O3 0.02110 0.00720 0.01620 -0.00160 -0.00610 0.00200 O4 0.00930 0.01160 0.00900 0.00230 0.00020 0.00140 O5 0.01470 0.01410 0.00830 0.00310 0.00170 -0.00040 O6 0.00910 0.01600 0.01330 0.00320 0.00260 0.00720 O7 0.01440 0.01580 0.01710 0.00860 0.00510 0.00300 O8 0.00920 0.01280 0.00870 0.00200 -0.00040 0.00180 O9 0.01560 0.00760 0.01360 -0.00040 -0.00320 0.00120 O10 0.00820 0.01090 0.00980 0.00310 0.00010 0.00200 O11 0.01970 0.01000 0.00960 0.00180 0.00280 -0.00100 O12 0.00790 0.01460 0.01360 0.00320 0.00240 0.00550 O13 0.00830 0.01070 0.01440 0.00340 0.00290 0.00100 O14 0.01150 0.01130 0.01010 0.00310 -0.00200 0.00200 O15 0.01170 0.01210 0.01310 0.00540 -0.00170 -0.00300