data_global _chemical_name_mineral 'Murmanite' loop_ _publ_author_name 'Khalilov A D' _journal_name_full 'Mineralogiceskij Zhurnal' _journal_volume 11 _journal_year 1989 _journal_page_first 19 _journal_page_last 27 _publ_section_title ; Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics ; _database_code_amcsd 0018521 _chemical_formula_sum 'Na2 Ti2 Si2 O11 H4' _cell_length_a 5.383 _cell_length_b 7.053 _cell_length_c 12.170 _cell_angle_alpha 93.16 _cell_angle_beta 107.82 _cell_angle_gamma 90.06 _cell_volume 439.135 _exptl_crystal_density_diffrn 2.858 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.60630 0.67130 0.79840 0.02039 Na2 0.37520 0.32680 0.19660 0.02216 Na3 0.26160 0.88290 0.51050 0.02292 Na4 0.73210 0.10360 0.48950 0.02064 Ti1 0.57760 0.17060 0.75860 0.01267 Ti2 0.27390 0.38110 0.50350 0.01393 Ti3 0.40800 0.82120 0.23530 0.01102 Ti4 0.71640 0.60740 0.49290 0.01241 Si1 0.04330 0.87270 0.72050 0.01368 Si2 0.07450 0.44650 0.73860 0.01418 Si3 0.93790 0.11830 0.27110 0.01216 Si4 0.91820 0.54710 0.25740 0.01317 O1 0.12180 0.66510 0.78760 0.02216 O2 -0.00970 0.42460 0.59570 0.02178 O3 0.92040 0.82600 0.58030 0.02001 Wat4 0.26650 0.23130 -0.00730 0.04015 O5 0.98550 0.55070 0.39950 0.01406 O6 0.50030 0.59740 0.58460 0.02216 O7 0.52030 0.80110 0.39210 0.02014 O8 0.85080 0.36600 0.78700 0.01811 O9 0.85440 0.99700 0.76740 0.02850 Wat10 0.69740 0.17050 0.95660 0.03280 O11 0.46010 0.19940 0.59380 0.01900 O12 0.04440 0.15780 0.41130 0.01824 O13 0.50860 0.38770 0.41150 0.01418 O14 0.12180 0.63980 0.20710 0.01786 O15 0.38570 0.38450 0.79400 0.01583 O16 0.17750 0.03380 0.22630 0.01925 O17 0.65330 0.64660 0.19780 0.01469 O18 0.30600 0.99710 0.75640 0.02064 O19 0.64560 0.03630 0.23520 0.01697 O20 0.91460 0.31610 0.21960 0.01748 Wat21 0.26170 0.84460 0.04170 0.02381 Wat22 0.75420 0.77640 -0.00450 0.02254