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 = 800 K ; _database_code_amcsd 0020406 _chemical_compound_source 'Mont St. Hilaire, Quebec, Canada' _chemical_formula_sum 'Mn1.926 Ca.074 Na Si3 O9 H' _cell_length_a 7.7513 _cell_length_b 6.9384 _cell_length_c 6.7761 _cell_angle_alpha 90.307 _cell_angle_beta 94.019 _cell_angle_gamma 102.858 _cell_volume 354.335 _exptl_crystal_density_diffrn 3.384 _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 0.84890 0.58640 0.13580 1.00000 0.03100 Mn2 0.85020 0.08800 0.13490 0.92580 0.00200 Ca2 0.85020 0.08800 0.13490 0.07420 0.00200 Na1 0.55760 0.25800 0.36300 1.00000 0.05200 Si1 0.21260 0.41300 0.34870 1.00000 0.01890 Si2 0.21030 0.95310 0.34360 1.00000 0.01890 Si3 0.45630 0.73260 0.14600 1.00000 0.01890 O1 0.66360 0.79060 0.11300 1.00000 0.02260 O2 0.32300 0.70450 0.93820 1.00000 0.02260 O3 0.17550 0.48740 0.54950 1.00000 0.02260 O4 0.15970 0.84240 0.56170 1.00000 0.02260 O5 0.06270 0.39320 0.16540 1.00000 0.02260 O6 0.05300 0.89310 0.17450 1.00000 0.02260 O7 0.40410 0.53420 0.27490 1.00000 0.02260 O8 0.39990 0.90840 0.27950 1.00000 0.02260 O9 0.25790 0.18470 0.39070 1.00000 0.02260 H16 0.13000 0.62700 0.55600 0.49000 0.05800 H17 0.16800 0.71400 0.54100 0.51000 0.05800