data_global _chemical_name_mineral 'Babingtonite' loop_ _publ_author_name 'Armbruster T' _journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen' _journal_volume 80 _journal_year 2000 _journal_page_first 279 _journal_page_last 284 _publ_section_title ; Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland ; _database_code_amcsd 0018476 _chemical_compound_source 'Westfield, Massachusetts, USA' _chemical_formula_sum 'Ca2 Fe1.703 Mn.06 Mg.187 Al.05 Si5 H O15' _cell_length_a 7.458 _cell_length_b 12.168 _cell_length_c 6.675 _cell_angle_alpha 86.12 _cell_angle_beta 93.86 _cell_angle_gamma 112.27 _cell_volume 558.711 _exptl_crystal_density_diffrn 3.364 _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 Cal 0.16143 0.94182 0.85694 1.00000 0.01161 Ca2 0.28265 0.52040 0.69610 1.00000 0.00999 Fe1 0.05001 0.64361 0.93937 0.77800 0.00755 Mn1 0.05001 0.64361 0.93937 0.06000 0.00755 Mg1 0.05001 0.64361 0.93937 0.16200 0.00755 Fe2 0.18815 0.23539 0.81613 0.92500 0.00646 Mg2 0.18815 0.23539 0.81613 0.02500 0.00646 Al2 0.18815 0.23539 0.81613 0.05000 0.00646 Si1 0.76480 0.05306 0.65960 1.00000 0.00773 Si2 0.85280 0.31327 0.57490 1.00000 0.00709 Si3 0.63910 0.44505 0.79040 1.00000 0.00646 Si4 0.72660 0.71326 0.68960 1.00000 0.00697 Si5 0.50870 0.83522 0.89410 1.00000 0.00735 H1 0.80300 0.92000 0.48700 1.00000 0.04433 O1 0.78920 0.98720 0.46630 1.00000 0.01355 O2 0.95020 0.08030 0.81670 1.00000 0.00937 O3 0.73720 0.17080 0.56350 1.00000 0.01153 O4 0.02100 0.33820 0.75440 1.00000 0.00887 O5 0.07060 0.62050 0.63480 1.00000 0.01051 O6 0.69250 0.37030 0.62710 1.00000 0.00925 O7 0.41490 0.38450 0.84310 1.00000 0.00950 O8 0.79780 0.47510 0.97340 1.00000 0.00975 O9 0.64360 0.56850 0.66110 1.00000 0.00874 O10 0.88400 0.75480 0.87570 1.00000 0.00912 O11 0.19860 0.22110 0.52220 1.00000 0.01051 O12 0.53300 0.73690 0.74930 1.00000 0.00925 O13 0.28790 0.79750 0.94480 1.00000 0.01127 O14 0.33670 0.14270 0.91770 1.00000 0.01039 O15 0.57180 0.96740 0.77590 1.00000 0.01153