data_global _chemical_name_mineral 'Nambulite' 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 0020223 _chemical_compound_source 'Gozaisho mine, Iwaki, Japan' _chemical_formula_sum '(Na.179 Li.821) Mn3.69 Mg.26 Ca.05 Si5 O15 H' _cell_length_a 7.5372 _cell_length_b 11.7267 _cell_length_c 6.7078 _cell_angle_alpha 93.057 _cell_angle_beta 95.147 _cell_angle_gamma 106.240 _cell_volume 565.017 _exptl_crystal_density_diffrn 3.540 _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 0.66650 0.12020 0.34880 0.17900 0.04320 LiM5 0.66650 0.12020 0.34880 0.82100 0.04320 MnM1 0.59473 0.65395 0.06110 1.00000 0.00945 MnM2 0.81507 0.94164 0.12933 1.00000 0.00930 MnM3 0.03828 0.23486 0.17946 0.74000 0.00942 MgM3 0.03828 0.23486 0.17946 0.26000 0.00942 MnM4 0.24670 0.51372 0.26589 0.95000 0.01148 CaM4 0.24670 0.51372 0.26589 0.05000 0.01148 Si1 0.27910 0.05960 0.35814 1.00000 0.00649 Si2 0.47395 0.32678 0.42779 1.00000 0.00658 Si3 0.81858 0.45512 0.22094 1.00000 0.00666 Si4 0.00911 0.72515 0.30072 1.00000 0.00685 Si5 0.35079 0.85358 0.11427 1.00000 0.00665 O1 0.20002 0.00859 0.56108 1.00000 0.01170 O2 0.12134 0.06896 0.18570 1.00000 0.00900 O3 0.44631 0.18254 0.41720 1.00000 0.01050 O4 0.32764 0.34914 0.25387 1.00000 0.00910 O5 0.53014 0.61611 0.35240 1.00000 0.01070 O6 0.69321 0.38359 0.38780 1.00000 0.01140 O7 0.97941 0.39692 0.17340 1.00000 0.01270 O8 0.67970 0.46980 0.03350 1.00000 0.01030 O9 0.93241 0.58563 0.33680 1.00000 0.01260 O10 0.88200 0.76755 0.13040 1.00000 0.00960 O11 -0.02270 0.20339 0.48250 1.00000 0.01470 O12 0.21798 0.74572 0.22990 1.00000 0.01130 O13 0.53802 0.82382 0.07060 1.00000 0.00970 O14 0.76642 0.12076 0.08387 1.00000 0.01000 O15 0.39871 0.97295 0.27330 1.00000 0.01140 H11 -0.10700 0.12420 0.49400 1.00000 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 0.04300 0.05800 0.04500 0.03000 0.02960 0.02170 LiM5 0.04300 0.05800 0.04500 0.03000 0.02960 0.02170 MnM1 0.00884 0.00998 0.00884 0.00150 0.00118 0.00067 MnM2 0.00988 0.00879 0.00908 0.00231 0.00179 0.00018 MnM3 0.00901 0.00867 0.01043 0.00235 0.00100 0.00049 MgM3 0.00901 0.00867 0.01043 0.00235 0.00100 0.00049 MnM4 0.00960 0.01167 0.01110 0.00033 -0.00033 -0.00033 CaM4 0.00960 0.01167 0.01110 0.00033 -0.00033 -0.00033 Si1 0.00680 0.00580 0.00664 0.00153 0.00002 0.00030 Si2 0.00690 0.00620 0.00600 0.00096 0.00016 0.00066 Si3 0.00600 0.00660 0.00730 0.00151 0.00075 0.00131 Si4 0.00680 0.00610 0.00720 0.00126 0.00038 0.00060 Si5 0.00620 0.00720 0.00669 0.00233 0.00052 0.00023 O1 0.01280 0.01250 0.00800 0.00060 0.00160 0.00170 O2 0.00840 0.01110 0.00790 0.00370 0.00000 0.00070 O3 0.01110 0.00610 0.01280 0.00060 -0.00130 0.00060 O4 0.00890 0.00990 0.00840 0.00310 -0.00050 0.00110 O5 0.01290 0.01130 0.00760 0.00320 0.00120 -0.00100 O6 0.00780 0.01340 0.01250 0.00120 0.00200 0.00630 O7 0.01100 0.01370 0.01520 0.00610 0.00240 0.00130 O8 0.00900 0.01280 0.00810 0.00220 -0.00130 0.00170 O9 0.01510 0.00610 0.01300 -0.00140 -0.00350 0.00150 O10 0.00850 0.01060 0.01020 0.00370 0.00020 0.00200 O11 0.02440 0.00920 0.00910 0.00230 0.00320 -0.00080 O12 0.00740 0.01380 0.01330 0.00300 0.00230 0.00510 O13 0.00790 0.00870 0.01320 0.00330 0.00280 0.00050 O14 0.01040 0.01060 0.00900 0.00350 -0.00090 0.00190 O15 0.01110 0.01150 0.01210 0.00580 -0.00150 -0.00310