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 = 575 K ; _database_code_amcsd 0020405 _chemical_compound_source 'Mont St. Hilaire, Quebec, Canada' _chemical_formula_sum 'Mn1.926 Ca.074 Na Si3 O9 H' _cell_length_a 7.7283 _cell_length_b 6.9174 _cell_length_c 6.7608 _cell_angle_alpha 90.362 _cell_angle_beta 94.016 _cell_angle_gamma 102.822 _cell_volume 351.464 _exptl_crystal_density_diffrn 3.411 _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 0.84440 0.58310 0.13850 1.00000 0.01580 Mn2 0.85520 0.09170 0.13430 0.92580 0.00900 Ca2 0.85520 0.09170 0.13430 0.07420 0.00900 Na1 0.56440 0.26010 0.36460 1.00000 0.04200 Si1 0.21290 0.41440 0.34760 1.00000 0.01210 Si2 0.20720 0.95130 0.34650 1.00000 0.01210 Si3 0.45280 0.73440 0.14760 1.00000 0.01210 O1 0.66380 0.79170 0.10930 1.00000 0.01730 O2 0.32400 0.70580 0.93930 1.00000 0.01730 O3 0.17760 0.49290 0.55110 1.00000 0.01730 O4 0.15990 0.84100 0.56070 1.00000 0.01730 O5 0.06330 0.39640 0.16670 1.00000 0.01730 O6 0.05490 0.89510 0.17460 1.00000 0.01730 O7 0.40450 0.53700 0.27700 1.00000 0.01730 O8 0.39770 0.91170 0.28000 1.00000 0.01730 O9 0.25760 0.18490 0.39070 1.00000 0.01730 H16 0.13500 0.62800 0.55100 0.55000 0.04400 H17 0.15500 0.70300 0.52400 0.45000 0.04400