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 Note: Sample Arvigo 1, NMBE 34973 ; _database_code_amcsd 0018474 _chemical_compound_source 'Arvigo, Val Calanca, Grisons, Switzerland' _chemical_formula_sum 'Ca2 Fe1.513 Mn.21 Mg.197 Al.08 Si5 H O15' _cell_length_a 7.469 _cell_length_b 12.161 _cell_length_c 6.675 _cell_angle_alpha 86.09 _cell_angle_beta 93.94 _cell_angle_gamma 112.21 _cell_volume 559.398 _exptl_crystal_density_diffrn 3.352 _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 0.16060 0.94195 0.85730 1.00000 0.01064 Ca2 0.28242 0.52011 0.69570 1.00000 0.00909 Fe1 0.05007 0.64372 0.93914 0.63900 0.00671 Mn1 0.05007 0.64372 0.93914 0.21000 0.00671 Mg1 0.05007 0.64372 0.93914 0.15100 0.00671 Fe2 0.18824 0.23542 0.81574 0.87400 0.00553 Mg2 0.18824 0.23542 0.81574 0.04600 0.00553 Al2 0.18824 0.23542 0.81574 0.08000 0.00553 Sil 0.76560 0.05311 0.65940 1.00000 0.00671 Si2 0.85290 0.31325 0.57520 1.00000 0.00595 Si3 0.63860 0.44490 0.79060 1.00000 0.00583 Si4 0.72630 0.71334 0.68970 1.00000 0.00583 Si5 0.50870 0.83531 0.89410 1.00000 0.00671 H1 0.79600 0.92200 0.48600 1.00000 0.04053 O1 0.78880 0.98690 0.46590 1.00000 0.01267 O2 0.95060 0.08050 0.81580 1.00000 0.00887 O3 0.73740 0.17100 0.56240 1.00000 0.00988 O4 0.02130 0.33800 0.75440 1.00000 0.00849 O5 0.07070 0.62060 0.63520 1.00000 0.00950 O6 0.69220 0.37040 0.62660 1.00000 0.00887 O7 0.41540 0.38430 0.84340 1.00000 0.00887 O8 0.79710 0.47490 0.97350 1.00000 0.00861 O9 0.64270 0.56840 0.66170 1.00000 0.00836 O10 0.88350 0.75500 0.87580 1.00000 0.00887 O11 0.19920 0.22130 0.52210 1.00000 0.01039 O12 0.53320 0.73690 0.74950 1.00000 0.00925 O13 0.28910 0.79850 0.94480 1.00000 0.01026 O14 0.33670 0.14290 0.91720 1.00000 0.01001 O15 0.57360 0.96780 0.77570 1.00000 0.01064