data_global _chemical_name_mineral 'Katayamalite' loop_ _publ_author_name 'Kato T' 'Murakami N' _journal_name_full 'Mineralogical Journal' _journal_volume 12 _journal_year 1985 _journal_page_first 206 _journal_page_last 217 _publ_section_title ; The crystal structure of katayamalite ; _database_code_amcsd 0014425 _chemical_compound_source 'Iwagi Islet, Ehime Prefecture, Japan' _chemical_formula_sum '(K.89 Na.11) Li3 Ca7 (Ti1.95 Fe.05) Si12 O37.76 (F.24 H1.76)' _cell_length_a 9.721 _cell_length_b 16.923 _cell_length_c 19.942 _cell_angle_alpha 91.43 _cell_angle_beta 104.15 _cell_angle_gamma 89.94 _cell_volume 3180.057 _exptl_crystal_density_diffrn 2.887 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-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 K 0.44600 0.37500 0.75000 0.89000 0.02470 Na 0.44600 0.37500 0.75000 0.11000 0.02470 Li1 0.19200 0.62700 0.75000 1.00000 0.01494 Li2 0.69300 0.62100 0.75300 1.00000 0.01140 Li3 0.45800 0.87500 0.74900 1.00000 0.01140 Ca1 0.00000 0.00000 0.00000 1.00000 0.00937 Ca2 0.25000 0.25000 0.50000 1.00000 0.00836 Ca3 0.43400 0.28600 0.01300 1.00000 0.00849 Ca4 0.13900 0.42800 0.00000 1.00000 0.00836 Ca5 0.21300 0.64200 -0.00700 1.00000 0.00887 Ca6 0.17100 0.46400 0.48700 1.00000 0.00861 Ca7 0.47000 0.60800 0.50700 1.00000 0.00912 Ca8 0.11100 0.67800 0.50000 1.00000 0.00760 Ti1 0.44500 0.70900 0.74800 0.97500 0.00519 Fe1 0.44500 0.70900 0.74800 0.02500 0.00519 Ti2 0.44600 0.04100 0.75200 0.97500 0.00469 Fe2 0.44600 0.04100 0.75200 0.02500 0.00469 Si1 0.25300 0.49900 0.86000 1.00000 0.00494 Si2 0.56400 0.56100 0.85900 1.00000 0.00545 Si3 0.81000 0.43900 0.86000 1.00000 0.00456 Si4 0.74500 0.25600 0.85900 1.00000 0.00532 Si5 0.43900 0.19200 0.86200 1.00000 0.00380 Si6 0.19500 0.31600 0.86000 1.00000 0.00481 Si7 0.30000 0.68900 0.36000 1.00000 0.00405 Si8 0.54400 0.81100 0.35900 1.00000 0.00481 Si9 0.85600 0.74900 0.36000 1.00000 0.00557 Si10 -0.08500 0.56600 0.36000 1.00000 0.00545 Si11 0.67300 0.44200 0.36200 1.00000 0.00557 Si12 0.36400 0.50600 0.35900 1.00000 0.00570 O1 0.23000 0.40500 0.84100 1.00000 0.01267 O2 0.14100 0.55000 0.80600 1.00000 0.00874 O3 0.25300 0.51700 0.93900 1.00000 0.01140 O4 0.41300 0.51500 0.85100 1.00000 0.01558 O5 0.55500 0.62800 0.80400 1.00000 0.01064 O6 0.62100 0.59100 0.93800 1.00000 0.01077 O7 0.67000 0.49400 0.84100 1.00000 0.01165 O8 0.90900 0.45600 0.80900 1.00000 0.00937 O9 0.89100 0.44900 0.94200 1.00000 0.00988 O10 0.74400 0.35000 0.84500 1.00000 0.01305 O11 0.80900 0.20700 0.80400 1.00000 0.00925 O12 0.82400 0.24100 0.93800 1.00000 0.01039 O13 0.58000 0.23000 0.84500 1.00000 0.01267 O14 0.38100 0.11900 0.81000 1.00000 0.01051 O15 0.46900 0.17100 0.94200 1.00000 0.00887 O16 0.32600 0.26400 0.84500 1.00000 0.01292 O17 0.04700 0.29100 0.80800 1.00000 0.00887 O18 0.19500 0.31100 0.94100 1.00000 0.00963 O19 0.35300 0.60000 0.34500 1.00000 0.01355 O20 0.15000 0.70600 0.30900 1.00000 0.00937 O21 0.30100 0.70000 0.44100 1.00000 0.00912 O22 0.42200 0.74300 0.34000 1.00000 0.01153 O23 0.49900 0.87900 0.30400 1.00000 0.01001 O24 0.56800 0.84000 0.43800 1.00000 0.01102 O25 0.68700 0.76500 0.35000 1.00000 0.01431 O26 0.91300 0.79900 0.30600 1.00000 0.00975 O27 -0.06300 0.76800 0.43900 1.00000 0.01089 O28 0.86000 0.65500 0.34000 1.00000 0.01013 O29 0.01000 0.54200 0.30800 1.00000 0.00836 O30 -0.00200 0.56200 0.44100 1.00000 0.00874 O31 0.76900 0.51400 0.34500 1.00000 0.01368 O32 0.67900 0.37000 0.31000 1.00000 0.00937 O33 0.72200 0.42000 0.44200 1.00000 0.00937 O34 0.51500 0.48000 0.34500 1.00000 0.01317 O35 0.24500 0.45700 0.30400 1.00000 0.01191 O36 0.36500 0.49100 0.43800 1.00000 0.01039 O-H1 0.45300 0.62300 0.04300 0.88000 0.00874 F1 0.45300 0.62300 0.04300 0.12000 0.00874 O-H2 0.34000 0.37200 0.54300 0.88000 0.00874 F2 0.34000 0.37200 0.54300 0.12000 0.00874