data_global _chemical_name_mineral 'Kilchoanite' loop_ _publ_author_name 'Taylor H F W' _journal_name_full 'Mineralogical Magazine' _journal_volume 38 _journal_year 1971 _journal_page_first 26 _journal_page_last 31 _publ_section_title ; The crystal structure of kilchoanite, Ca6(SiO4)(Si3O10), with some comments on related phases ; _database_code_amcsd 0014452 _chemical_compound_source 'Kilchoan, Ardnamurchan, Scotland' _chemical_formula_sum 'Ca3 Si2 O7' _cell_length_a 11.42 _cell_length_b 5.09 _cell_length_c 21.95 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1275.905 _exptl_crystal_density_diffrn 3.003 _symmetry_space_group_name_H-M 'I 2 c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' 'x,y,1/2-z' '1/2+x,1/2+y,-z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca1 -0.01340 0.00000 0.00000 0.02153 Ca2 0.28600 0.00300 0.25000 0.01646 Ca3 0.01070 0.00500 0.16790 0.01520 Ca4 0.21770 0.50100 0.10400 0.01267 Si1 0.09700 0.42600 0.25000 0.01646 Si2 0.40800 0.94000 0.09970 0.01267 Si3 0.24000 0.00000 0.00000 0.01773 O1 0.16400 0.29700 0.19190 0.01520 O2 -0.03300 0.29300 0.25000 0.02660 O3 0.09800 0.75900 0.25000 0.01140 O4 0.34600 0.79300 0.15840 0.01520 O5 0.03500 0.70700 0.09190 0.01646 O6 0.33400 0.80200 0.04020 0.02660 O7 0.40400 0.25500 0.09540 0.00760 O8 0.16000 0.17900 0.04120 0.02406