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 = 298 K ; _database_code_amcsd 0020404 _chemical_compound_source 'Mont St. Hilaire, Quebec, Canada' _chemical_formula_sum 'Mn1.942 Ca.058 Na Si3 O9 H' _cell_length_a 7.70244 _cell_length_b 6.90030 _cell_length_c 6.74470 _cell_angle_alpha 90.4159 _cell_angle_beta 94.0442 _cell_angle_gamma 102.8006 _cell_volume 348.599 _exptl_crystal_density_diffrn 3.442 _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 0.84560 0.58840 0.13990 1.00000 0.00990 Mn2 0.85590 0.09030 0.13290 0.94200 0.01300 Ca2 0.85590 0.09030 0.13290 0.05800 0.01300 Na1 0.56400 0.25870 0.35780 1.00000 0.00960 Si1 0.21290 0.41240 0.35090 1.00000 0.00770 Si2 0.20370 0.94030 0.34680 1.00000 0.00770 Si3 0.45750 0.73930 0.14660 1.00000 0.00770 O1 0.66630 0.79410 0.11260 1.00000 0.01070 O2 0.32000 0.70580 0.94080 1.00000 0.01070 O3 0.17580 0.49550 0.55530 1.00000 0.01070 O4 0.15820 0.84040 0.56330 1.00000 0.01070 O5 0.06060 0.39480 0.16540 1.00000 0.01070 O6 0.05390 0.89050 0.17690 1.00000 0.01070 O7 0.40680 0.53600 0.27750 1.00000 0.01070 O8 0.39900 0.91140 0.28150 1.00000 0.01070 O9 0.26180 0.18730 0.38910 1.00000 0.01070 H16 0.14400 0.63300 0.54500 0.67000 0.03500 H17 0.16700 0.70400 0.52600 0.33000 0.03500