data_global _chemical_name_mineral 'Babingtonite' loop_ _publ_author_name 'Kosoi A L' _journal_name_full 'Kristallografiya' _journal_volume 20 _journal_year 1975 _journal_page_first 730 _journal_page_last 739 _publ_section_title ; Structure of babingtonite ; _database_code_amcsd 0018477 _chemical_formula_sum 'Ca2 Fe2 Si5 O15 H' _cell_length_a 12.18 _cell_length_b 6.68 _cell_length_c 7.50 _cell_angle_alpha 93.98 _cell_angle_beta 112.32 _cell_angle_gamma 86.05 _cell_volume 562.539 _exptl_crystal_density_diffrn 3.384 _symmetry_space_group_name_H-M 'P 1' loop_ _space_group_symop_operation_xyz 'x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 0.05710 0.14530 0.33920 0.01026 Ca1* 0.94040 0.85920 0.65900 0.01013 Ca2 0.48040 0.30790 0.21700 0.01064 Ca2* 0.52170 0.70090 0.78200 0.01089 Fe1 0.35630 0.05960 0.44760 0.00950 Fel* 0.64340 0.93840 0.54780 0.00925 Fe2 0.76530 0.18440 0.30620 0.00773 Fe2* 0.23640 0.81650 0.68280 0.00722 Si1 0.30990 0.57680 0.34840 0.00532 Si1* 0.68350 0.42720 0.64310 0.00608 Si2 0.05460 0.65710 0.27060 0.00633 Si2* 0.94870 0.33820 0.73880 0.00697 Si3 0.83620 0.89390 0.00950 0.00633 Si3* 0.16510 0.10670 0.99230 0.00633 Si4 0.71440 0.68860 0.22670 0.00646 Si4* 0.28770 0.30930 0.77390 0.00671 Si5 0.44430 0.79350 0.13960 0.00684 Si5* 0.55460 0.21250 0.86340 0.00557 O1 0.37130 0.62600 0.19650 0.00874 O1* 0.63020 0.37210 0.81450 0.00950 O2 0.38130 0.36750 0.43180 0.01153 O2* 0.62220 0.63840 0.57150 0.00722 O3 0.33340 0.75820 0.52250 0.00532 O3* 0.65700 0.24910 0.47960 0.00861 O4 0.17210 0.56190 0.23890 0.00950 O4* 0.83080 0.43450 0.76350 0.00823 O5 0.07550 0.81710 0.44690 0.00861 O5* 0.91680 0.18540 0.54700 0.00557 O-H6 0.98490 0.46440 0.28690 0.01165 O-H6' 0.01080 0.53220 0.70890 0.00963 O7 0.74170 0.74530 0.03600 0.01013 O7* 0.26820 0.24740 0.96810 0.00963 O8 0.85770 0.08100 0.16980 0.00912 O8* 0.14310 0.91730 0.84640 0.00912 O9 0.79510 0.93890 0.78520 0.00963 O9* 0.19960 0.05150 0.20400 0.01077 O10 0.77890 0.47640 0.30100 0.00899 O10* 0.22060 0.51690 0.69740 0.00811 O11 0.75810 0.87390 0.38150 0.00887 O11* 0.24670 0.12620 0.61540 0.01039 O12 0.57090 0.65920 0.14740 0.00950 O12* 0.43430 0.33790 0.86120 0.00304 O13 0.47370 0.96580 0.29750 0.00684 O13* 0.52270 0.01820 0.70280 0.00722 O14 0.38780 0.84050 0.92180 0.00671 O14* 0.61730 0.15620 0.08770 0.00912 O15 0.96480 0.77350 0.07480 0.01051 O15* 0.03010 0.22200 0.93260 0.00975