data_global _chemical_name_mineral 'Potassic-hastingsite' loop_ _publ_author_name 'Ren G' 'Li G' 'Shi J' 'Gu X' 'Fan G' 'Yu A' 'Liu Q' 'Shen G' _journal_name_full 'Mineralogy and Petrology' _journal_volume 114 _journal_year 2020 _journal_page_first 403 _journal_page_last 412 _publ_section_title ; Potassic-hastingsite, KCa2(Fe2+4Fe3+)(Si6Al2)O22(OH)2, from the Keshiketeng Banner, Inner Mongolia, China: description of the neotype and its implication ; _database_code_amcsd 0020941 _chemical_compound_source 'Keshiketeng Banner, Inner Mongolia, China' _chemical_formula_sum 'K.61 Na.2 Ca2.07 Fe4.68 Al2.148 Mn.06 Mg.06 Ti.04 Si5.972 O23.14 Cl.86 H1.14' _cell_length_a 9.9587 _cell_length_b 18.2524 _cell_length_c 5.3409 _cell_angle_alpha 90 _cell_angle_beta 105.02 _cell_angle_gamma 90 _cell_volume 937.649 _exptl_crystal_density_diffrn 3.567 _symmetry_space_group_name_H-M 'C 1 2/m 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' '-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 KA 0.50000 0.50000 0.00000 0.61000 0.09100 NaA 0.50000 0.50000 0.00000 0.20000 0.09100 CaA 0.50000 0.50000 0.00000 0.07000 0.09100 CaB 0.50000 0.28060 0.50000 1.00000 0.01340 FeM3 0.00000 0.50000 0.00000 1.00000 0.00820 FeM2 0.00000 0.40840 0.50000 1.00000 0.01250 FeM1 0.50000 0.17910 0.00000 0.84000 0.00520 AlM1 0.50000 0.17910 0.00000 0.06000 0.00520 MnM1 0.50000 0.17910 0.00000 0.03000 0.00520 MgM1 0.50000 0.17910 0.00000 0.03000 0.00520 TiM1 0.50000 0.17910 0.00000 0.02000 0.00520 AlT1 0.72140 0.41460 0.70020 0.50700 0.00840 SiT1 0.72140 0.41460 0.70020 0.49300 0.00840 SiT2 0.70930 0.32770 0.19010 1.00000 0.00790 O1 0.66670 0.50000 0.70740 1.00000 0.01720 O2 0.65790 0.37980 0.40260 1.00000 0.01460 O3 0.63130 0.25160 0.20770 1.00000 0.01350 O4 0.65300 0.36320 -0.10160 1.00000 0.01420 O5 0.87800 0.32310 0.26840 1.00000 0.01170 O6 0.89370 0.40930 0.78630 1.00000 0.01240 O-HW 0.88900 0.50000 0.28900 0.57000 0.01400 ClW 0.83400 0.50000 0.26200 0.43000 0.01700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 KA 0.08900 0.08500 0.12800 0.00000 0.08200 0.00000 NaA 0.08900 0.08500 0.12800 0.00000 0.08200 0.00000 CaA 0.08900 0.08500 0.12800 0.00000 0.08200 0.00000 CaB 0.01590 0.01050 0.01590 0.00000 0.00800 0.00000 FeM3 0.01040 0.00560 0.00800 0.00000 0.00120 0.00000 FeM2 0.01470 0.01220 0.01120 0.00000 0.00440 0.00000 FeM1 0.00630 0.00350 0.00580 0.00000 0.00180 0.00000 AlM1 0.00630 0.00350 0.00580 0.00000 0.00180 0.00000 MnM1 0.00630 0.00350 0.00580 0.00000 0.00180 0.00000 MgM1 0.00630 0.00350 0.00580 0.00000 0.00180 0.00000 TiM1 0.00630 0.00350 0.00580 0.00000 0.00180 0.00000 AlT1 0.00900 0.00720 0.00890 -0.00060 0.00200 -0.00040 SiT1 0.00900 0.00720 0.00890 -0.00060 0.00200 -0.00040 SiT2 0.00880 0.00710 0.00790 -0.00030 0.00240 0.00030 O1 0.01670 0.01300 0.02200 0.00000 0.00490 0.00000 O2 0.01300 0.01450 0.01660 0.00070 0.00430 -0.00290 O3 0.01670 0.01100 0.01410 -0.00260 0.00640 -0.00040 O4 0.01270 0.01570 0.01330 0.00010 0.00220 0.00400 O5 0.01090 0.01160 0.01200 0.00020 0.00170 0.00080 O6 0.01340 0.01210 0.01170 -0.00210 0.00340 -0.00130 O-HW 0.01500 0.01400 0.01300 0.00000 0.00400 0.00000 ClW 0.01700 0.01400 0.02100 0.00000 0.00700 0.00000