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 0020222 _chemical_compound_source 'Fianel mine, Grisons, Switzerland' _chemical_formula_sum '(Na.275 Li.725) Mn3.71 Mg.19 Ca.1 Si5 O15' _cell_length_a 7.5391 _cell_length_b 11.7475 _cell_length_c 6.7137 _cell_angle_alpha 93.024 _cell_angle_beta 95.147 _cell_angle_gamma 106.266 _cell_volume 566.611 _exptl_crystal_density_diffrn 3.542 _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 0.67260 0.11080 0.36280 0.27500 0.05500 LiM5 0.67260 0.11080 0.36280 0.72500 0.05500 MnM1 0.59457 0.65350 0.06068 1.00000 0.00995 MnM2 0.81481 0.94088 0.12908 1.00000 0.01211 MnM3 0.03859 0.23512 0.18048 0.81000 0.00978 MgM3 0.03859 0.23512 0.18048 0.19000 0.00978 MnM4 0.24687 0.51374 0.26525 0.90000 0.01218 CaM4 0.24687 0.51374 0.26525 0.10000 0.01218 Si1 0.28019 0.05957 0.35765 1.00000 0.00960 Si2 0.47475 0.32697 0.42820 1.00000 0.00699 Si3 0.81894 0.45595 0.22172 1.00000 0.00653 Si4 0.00894 0.72550 0.30111 1.00000 0.00798 Si5 0.35105 0.85360 0.11409 1.00000 0.00694 O1 0.19910 0.00960 0.56080 1.00000 0.01490 O2 0.12050 0.06820 0.18610 1.00000 0.01200 O3 0.44680 0.18300 0.41730 1.00000 0.01270 O4 0.32880 0.34970 0.25440 1.00000 0.00930 O5 0.52900 0.61650 0.35200 1.00000 0.01170 O6 0.69410 0.38390 0.38790 1.00000 0.01320 O7 0.97970 0.39760 0.17370 1.00000 0.01240 O8 0.68060 0.47080 0.03390 1.00000 0.00980 O9 0.93300 0.58590 0.33630 1.00000 0.01380 O10 0.88130 0.76710 0.13070 1.00000 0.01030 O11 -0.02410 0.20260 0.48270 1.00000 0.01570 O12 0.21780 0.74570 0.22820 1.00000 0.01430 O13 0.53760 0.82330 0.06930 1.00000 0.01200 O14 0.76530 0.11960 0.08470 1.00000 0.01090 O15 0.39960 0.97280 0.27530 1.00000 0.01370 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 0.05100 0.05000 0.05800 -0.00100 0.04200 -0.00700 LiM5 0.05100 0.05000 0.05800 -0.00100 0.04200 -0.00700 MnM1 0.00780 0.01040 0.01020 0.00042 0.00033 0.00035 MnM2 0.01170 0.01040 0.01330 0.00242 -0.00005 -0.00034 MnM3 0.00810 0.00820 0.01170 0.00076 -0.00016 -0.00025 MgM3 0.00810 0.00820 0.01170 0.00076 -0.00016 -0.00025 MnM4 0.00870 0.01180 0.01310 -0.00067 -0.00134 -0.00137 CaM4 0.00870 0.01180 0.01310 -0.00067 -0.00134 -0.00137 Si1 0.00870 0.00730 0.01080 0.00020 -0.00150 -0.00020 Si2 0.00630 0.00540 0.00780 -0.00020 -0.00040 0.00020 Si3 0.00410 0.00570 0.00860 -0.00040 -0.00020 0.00120 Si4 0.00670 0.00630 0.00960 0.00030 -0.00070 -0.00010 Si5 0.00480 0.00710 0.00820 0.00120 -0.00060 -0.00090 O1 0.01460 0.01500 0.01230 -0.00070 0.00130 0.00300 O2 0.00920 0.01150 0.01340 0.00210 -0.00390 -0.00110 O3 0.01240 0.00580 0.01670 -0.00080 -0.00320 -0.00080 O4 0.00740 0.00970 0.01010 0.00170 -0.00110 0.00030 O5 0.01110 0.01370 0.00820 0.00080 0.00050 -0.00210 O6 0.00640 0.01550 0.01580 -0.00060 0.00130 0.00690 O7 0.00990 0.01290 0.01560 0.00530 0.00240 0.00040 O8 0.00660 0.01080 0.00990 0.00010 -0.00250 0.00040 O9 0.01680 0.00550 0.01380 -0.00320 -0.00560 0.00080 O10 0.00760 0.01000 0.01340 0.00300 -0.00100 0.00180 O11 0.02490 0.00900 0.01210 0.00310 0.00250 -0.00060 O12 0.00770 0.01840 0.01610 0.00200 0.00150 0.00580 O13 0.00810 0.01000 0.01780 0.00210 0.00200 0.00190 O14 0.00840 0.01160 0.01120 0.00130 -0.00300 0.00170 O15 0.01200 0.01070 0.01670 0.00360 -0.00410 -0.00650