data_global _chemical_name_mineral 'Marsturite' 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 0020225 _chemical_compound_source 'Molinello mine, Liguria, Italy' _chemical_formula_sum '(Na.938 Li.062) Mn2.908 Ca.912 Fe.11 Mg.07 Si5 O15 H' _cell_length_a 7.697 _cell_length_b 11.720 _cell_length_c 6.771 _cell_angle_alpha 92.40 _cell_angle_beta 94.41 _cell_angle_gamma 106.83 _cell_volume 581.593 _exptl_crystal_density_diffrn 3.469 _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 0.67530 0.14660 0.37100 0.93800 0.02990 LiM5 0.67530 0.14660 0.37100 0.06200 0.02990 MnM1 0.59347 0.64999 0.06289 1.00000 0.01820 MnM2 0.80504 0.94011 0.12446 0.85100 0.01950 CaM2 0.80504 0.94011 0.12446 0.14900 0.01950 MnM3 0.03951 0.23533 0.17309 0.82000 0.01750 FeM3 0.03951 0.23533 0.17309 0.11000 0.01750 MgM3 0.03951 0.23533 0.17309 0.07000 0.01750 CaM4 0.23215 0.52332 0.27776 0.76300 0.02350 MnM4 0.23215 0.52332 0.27776 0.23700 0.02350 Si1 0.26700 0.05745 0.35570 1.00000 0.01850 Si2 0.45770 0.32818 0.42513 1.00000 0.01590 Si3 0.80561 0.45012 0.21690 1.00000 0.01500 Si4 -0.00550 0.72249 0.30730 1.00000 0.01640 Si5 0.34147 0.85220 0.12200 1.00000 0.01660 O1 0.18080 0.00620 0.55890 1.00000 0.02380 O2 0.11690 0.06510 0.18140 1.00000 0.02090 O3 0.41760 0.18310 0.42640 1.00000 0.02030 O4 0.32300 0.35250 0.24910 1.00000 0.01760 O5 0.53990 0.61240 0.35920 1.00000 0.02100 O6 0.67710 0.37310 0.37760 1.00000 0.01980 O7 0.95900 0.39090 0.16550 1.00000 0.02310 O8 0.67630 0.47070 0.03290 1.00000 0.01720 O9 0.92260 0.57810 0.33860 1.00000 0.02210 O10 0.87410 0.76360 0.13490 1.00000 0.01800 O11 -0.00690 0.20800 0.48100 1.00000 0.02120 O12 0.20600 0.74400 0.24110 1.00000 0.02080 O13 0.52600 0.82140 0.07840 1.00000 0.02240 O14 0.77070 0.11880 0.07130 1.00000 0.01990 O15 0.38870 0.97070 0.28390 1.00000 0.02160 H1 0.09300 -0.07400 0.53600 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 0.01980 0.04380 0.02580 0.00910 0.00480 -0.00420 LiM5 0.01980 0.04380 0.02580 0.00910 0.00480 -0.00420 MnM1 0.01620 0.02190 0.01530 0.00390 0.00030 0.00100 MnM2 0.02150 0.02030 0.01670 0.00670 -0.00030 -0.00020 CaM2 0.02150 0.02030 0.01670 0.00670 -0.00030 -0.00020 MnM3 0.01670 0.01950 0.01550 0.00450 0.00130 0.00010 FeM3 0.01670 0.01950 0.01550 0.00450 0.00130 0.00010 MgM3 0.01670 0.01950 0.01550 0.00450 0.00130 0.00010 CaM4 0.02010 0.02440 0.02180 0.00180 -0.00390 0.00010 MnM4 0.02010 0.02440 0.02180 0.00180 -0.00390 0.00010 Si1 0.02000 0.01910 0.01570 0.00500 0.00010 0.00160 Si2 0.01770 0.01710 0.01190 0.00400 -0.00080 0.00070 Si3 0.01510 0.01710 0.01280 0.00500 0.00080 0.00190 Si4 0.01590 0.01930 0.01340 0.00490 -0.00040 0.00060 Si5 0.01620 0.01870 0.01450 0.00480 0.00110 0.00020 O1 0.02300 0.02500 0.02080 0.00220 0.00240 0.00380 O2 0.02300 0.02400 0.01560 0.00710 -0.00070 0.00080 O3 0.02100 0.01780 0.02050 0.00390 -0.00090 0.00210 O4 0.01610 0.02150 0.01410 0.00440 0.00070 -0.00020 O5 0.02200 0.02200 0.01670 0.00420 0.00260 -0.00050 O6 0.01660 0.02600 0.01630 0.00420 0.00240 0.00680 O7 0.02600 0.02600 0.02210 0.01400 0.00540 0.00410 O8 0.01790 0.01830 0.01440 0.00430 -0.00060 -0.00030 O9 0.02700 0.02010 0.01720 0.00550 -0.00510 0.00010 O10 0.01700 0.02110 0.01510 0.00490 0.00010 0.00110 O11 0.02500 0.02200 0.01610 0.00620 0.00120 0.00030 O12 0.01970 0.02600 0.01760 0.00840 0.00070 0.00240 O13 0.02100 0.02600 0.02090 0.00760 0.00340 0.00300 O14 0.01810 0.02090 0.01920 0.00480 -0.00310 0.00040 O15 0.02200 0.02200 0.02070 0.00950 -0.00390 -0.00540