data_global _chemical_name_mineral 'Carpholite' loop_ _publ_author_name 'Ghose S' 'Sen Gupta P K' 'Boggs R C' 'Schlemper E O' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 1084 _journal_page_last 1090 _publ_section_title ; Crystal chemistry of a nonstoichiometric carpholite, Kx(Mn2-x,Lix)Al4Si4O12(OH)4F4: A chain silicate related to pyroxenes ; _database_code_amcsd 0001265 _chemical_compound_source 'Sawtooth batholith, Idaho, USA' _chemical_formula_sum 'K.65 Mn1.35 Li.672 Al4 Si4 O16 F4 H4' _cell_length_a 13.715 _cell_length_b 20.302 _cell_length_c 5.138 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1430.635 _exptl_crystal_density_diffrn 3.067 _symmetry_space_group_name_H-M 'C c c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,1/2+y,1/2+z' '1/2-x,+y,1/2+z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' 'x,1/2+y,-z' '1/2+x,+y,-z' '-x,1/2-y,z' '1/2-x,-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 0.00000 0.25000 0.75000 0.65000 ? Mn 0.00000 0.37733 0.25000 0.67500 ? Li 0.00090 0.37650 0.25800 0.16800 0.01900 Al1 0.19536 0.25000 0.25000 1.00000 ? Al2 0.00000 0.46136 0.75000 1.00000 ? Si 0.19323 0.37902 0.91370 1.00000 ? O1 0.20710 0.29943 0.93120 1.00000 ? O2 0.08050 0.39809 0.89970 1.00000 ? O3 0.24560 0.41057 0.17230 1.00000 ? O-h4 0.06890 0.46806 0.43230 1.00000 ? F 0.10260 0.30594 0.36670 1.00000 ? H 0.12500 0.46200 0.41540 1.00000 0.04500 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 K 0.01900 0.05460 0.01960 0.00000 0.00000 0.00000 Mn 0.00610 0.00730 0.00580 0.00000 0.00190 0.00000 Al1 0.00710 0.00680 0.00580 0.00000 0.00000 -0.00020 Al2 0.00680 0.00860 0.00670 0.00000 -0.00080 0.00000 Si 0.00610 0.00640 0.00560 0.00050 0.00000 0.00050 O1 0.00930 0.00710 0.00630 0.00200 0.00060 0.00060 O2 0.00620 0.01100 0.00950 0.00200 -0.00040 0.00110 O3 0.01120 0.00850 0.00610 0.00020 -0.00270 0.00010 O-h4 0.00600 0.01090 0.00890 0.00150 0.00080 0.00090 F 0.01470 0.01700 0.01560 0.00530 0.00190 0.00090