data_global _chemical_name_mineral 'Sursassite' loop_ _publ_author_name 'Nagashima M' 'Akasaka M' 'Minakawa T' 'Libowitzky E' 'Armbruster T' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 1440 _journal_page_last 1449 _publ_section_title ; Sursassite: hydrogen bonding, cation order, and pumpellyite intergrowth Sample Number: 2 ; _database_code_amcsd 0004987 _chemical_compound_source 'New Brunswick, Canada' _chemical_formula_sum 'Mn2 Al3 Si3 O14 H3' _cell_length_a 8.709 _cell_length_b 5.7939 _cell_length_c 9.779 _cell_angle_alpha 90 _cell_angle_beta 108.953 _cell_angle_gamma 90 _cell_volume 466.688 _exptl_crystal_density_diffrn 3.573 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn1 0.17000 0.25000 0.31310 Mn2 0.27170 0.25000 0.67480 Al1 0.50000 0.00000 0.50000 Al2 0.50000 0.00000 0.00000 Al3 0.00000 0.50000 0.00000 Si1 0.30720 0.75000 0.19170 Si2 0.20650 0.75000 0.80670 Si3 0.15450 0.75000 0.49410 O1 0.26010 0.51320 0.50050 O2 0.19070 0.52460 0.16300 O3 0.31420 0.51770 0.83320 O4 0.41410 0.75000 0.08070 O5 0.44870 0.75000 0.35150 O6 0.08480 0.25000 0.92940 O7 0.43730 0.25000 0.36900 O8 0.07140 0.75000 0.89350 O9 0.08930 0.75000 0.63660 O10 -0.01120 0.75000 0.35650 O11 0.41210 0.25000 0.07280 H6A 0.06000 0.25000 0.82400 H7 0.44000 0.25000 0.26900 H11A 0.29320 0.25000 0.03400