data_global _chemical_name_mineral 'Chromphyllite' loop_ _publ_author_name 'Evsyunin V G' 'Kashaev A A' 'Rastsvetaeva R K' _journal_name_full 'Crystallography Reports' _journal_volume 42 _journal_year 1997 _journal_page_first 571 _journal_page_last 574 _publ_section_title ; Crystal structure of a new representative of Cr micas ; _database_code_amcsd 0012352 _chemical_compound_source 'Slyudyanka, Irkutsk, Russia' _chemical_formula_sum '(K.82 Ba.14 Na.04) Cr1.42 Al1.28 Mg.18 V.12 Si3 O11.7 F.3 H1.7' _cell_length_a 5.240 _cell_length_b 9.103 _cell_length_c 19.93 _cell_angle_alpha 90 _cell_angle_beta 95.59 _cell_angle_gamma 90 _cell_volume 946.134 _exptl_crystal_density_diffrn 3.159 _symmetry_space_group_name_H-M 'C 1 2/c 1' 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,-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 0.09470 0.25000 0.82000 0.01950 Ba 0.00000 0.09470 0.25000 0.14000 0.01950 Na 0.00000 0.09470 0.25000 0.04000 0.01950 CrM2 0.24950 0.08330 0.00000 0.71000 0.01469 AlM2 0.24950 0.08330 0.00000 0.14000 0.01469 MgM2 0.24950 0.08330 0.00000 0.09000 0.01469 VM2 0.24950 0.08330 0.00000 0.06000 0.01469 SiT1 0.46430 0.92720 0.13690 0.75000 0.00773 AlT1 0.46430 0.92720 0.13690 0.25000 0.00773 SiT2 0.45430 0.25690 0.13690 0.75000 0.00785 AlT2 0.45430 0.25690 0.13690 0.25000 0.00785 O1 0.43740 0.09210 0.16970 1.00000 0.01520 O2 0.24050 0.35880 0.17010 1.00000 0.01520 O3 0.24050 0.82130 0.16230 1.00000 0.01646 O4 0.45440 0.93610 0.05470 1.00000 0.01140 O5 0.39830 0.25130 0.05440 1.00000 0.00887 O6 0.45210 0.56770 0.05240 0.85000 0.01267 F6 0.45210 0.56770 0.05240 0.15000 0.01267 H 0.08200 0.00000 0.45600 0.85000 ? 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 0.01819 0.01679 0.01993 0.00000 0.00157 0.00000 Ba 0.01819 0.01679 0.01993 0.00000 0.00157 0.00000 Na 0.01819 0.01679 0.01993 0.00000 0.00157 0.00000 CrM2 0.01323 0.01133 0.01794 0.00000 0.00262 0.00091 AlM2 0.01323 0.01133 0.01794 0.00000 0.00262 0.00091 MgM2 0.01323 0.01133 0.01794 0.00000 0.00262 0.00091 VM2 0.01323 0.01133 0.01794 0.00000 0.00262 0.00091 SiT1 0.00620 0.00420 0.01196 0.00000 0.00052 0.00183 AlT1 0.00620 0.00420 0.01196 0.00000 0.00052 0.00183 SiT2 0.00620 0.00420 0.01196 0.00000 0.00052 0.00183 AlT2 0.00620 0.00420 0.01196 0.00000 0.00052 0.00183 O1 0.02081 0.00840 0.01595 -0.00072 0.00524 0.01006 O2 0.01474 0.01637 0.01196 -0.00072 0.00210 0.03019 O3 0.01378 0.01889 0.01595 0.00313 -0.00210 -0.03750 O4 0.00868 0.01008 0.01196 0.00024 0.00000 -0.00091 O5 0.01047 0.00672 0.00997 0.00048 -0.00210 -0.00274 O6 0.01364 0.01049 0.01196 -0.00096 0.00367 0.01098 F6 0.01364 0.01049 0.01196 -0.00096 0.00367 0.01098