data_global _chemical_name_mineral 'Serandite' loop_ _publ_author_name 'Williams E R' 'Weller M T' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1755 _journal_page_last 1760 _publ_section_title ; A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 150 K ; _database_code_amcsd 0020403 _chemical_compound_source 'Mont St. Hilaire, Quebec, Canada' _chemical_formula_sum 'Mn1.947 Ca.053 Na Si3 O9 H' _cell_length_a 7.6888 _cell_length_b 6.8934 _cell_length_c 6.73781 _cell_angle_alpha 90.4467 _cell_angle_beta 94.0672 _cell_angle_gamma 102.7771 _cell_volume 347.296 _exptl_crystal_density_diffrn 3.455 _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 Mn1 0.85220 0.59000 0.13890 1.00000 0.00300 Mn2 0.85120 0.08950 0.13240 0.94700 0.00400 Ca2 0.85120 0.08950 0.13240 0.05300 0.00400 Na1 0.56030 0.25480 0.35730 1.00000 0.01150 Si1 0.21700 0.41140 0.34740 1.00000 0.00330 Si2 0.20600 0.94720 0.34740 1.00000 0.00330 Si3 0.45910 0.73920 0.14640 1.00000 0.00330 O1 0.66640 0.79600 0.10900 1.00000 0.00510 O2 0.32160 0.70700 0.93910 1.00000 0.00510 O3 0.17850 0.49700 0.55550 1.00000 0.00510 O4 0.16020 0.84340 0.55800 1.00000 0.00510 O5 0.06420 0.39360 0.16740 1.00000 0.00510 O6 0.05240 0.89350 0.17340 1.00000 0.00510 O7 0.40890 0.53490 0.27660 1.00000 0.00510 O8 0.39830 0.91090 0.28620 1.00000 0.00510 O9 0.25810 0.18830 0.39510 1.00000 0.00510 H16 0.14610 0.63000 0.55200 0.69000 0.02370 H17 0.16100 0.70500 0.53300 0.31000 0.02370