data_global _chemical_name_mineral 'Chromo-alumino-povondraite' loop_ _publ_author_name 'Bosi F' 'Skogby H' 'Halenius U' 'Reznitskii L' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1557 _journal_page_last 1564 _publ_section_title ; Crystallographic and spectroscopic characterization of Fe-bearing chromo-alumino-povondraite and its relations with oxy-chromium-dravite and oxy-dravite ; _database_code_amcsd 0020261 _chemical_compound_source 'Sludyanka crystalline complex, Lake Baikal, Russia' _chemical_formula_sum 'Na.76 Ca.19 K.02 Cr2.103 Mg2.412 Al3.807 Ti.06 Fe.468 V.192 Si6 B3 O30.77 F.23 H3.08' _cell_length_a 16.0032 _cell_length_b 16.0032 _cell_length_c 7.28230 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1615.150 _exptl_crystal_density_diffrn 3.196 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 NaX 0.00000 0.00000 0.22677 0.76000 0.01760 CaX 0.00000 0.00000 0.22677 0.19000 0.01760 KX 0.00000 0.00000 0.22677 0.02000 0.01760 CrY 0.12364 0.06182 0.63687 0.64700 0.00539 MgY 0.12364 0.06182 0.63687 0.32800 0.00539 AlY 0.12364 0.06182 0.63687 0.02300 0.00539 TiY 0.12364 0.06182 0.63687 0.02000 0.00539 AlZ 0.29802 0.26200 0.60991 0.62300 0.00616 MgZ 0.29802 0.26200 0.60991 0.23800 0.00616 FeZ 0.29802 0.26200 0.60991 0.07800 0.00616 VZ 0.29802 0.26200 0.60991 0.03200 0.00616 CrZ 0.29802 0.26200 0.60991 0.02700 0.00616 Si 0.19074 0.18901 0.00000 1.00000 0.00584 B 0.11002 0.22004 0.45390 1.00000 0.00810 O1 0.00000 0.00000 0.76660 0.69000 0.00890 F1 0.00000 0.00000 0.76660 0.23000 0.00890 O-H1 0.00000 0.00000 0.76660 0.08000 0.00890 O2 0.06053 0.12106 0.48759 1.00000 0.00900 O3 0.25870 0.12935 0.51092 1.00000 0.01170 H3 0.24900 0.12450 0.40000 1.00000 0.01800 O4 0.09266 0.18532 0.07159 1.00000 0.01120 O5 0.18290 0.09145 0.09164 1.00000 0.01070 O6 0.19286 0.18338 0.77946 1.00000 0.00875 O7 0.28371 0.28346 0.07566 1.00000 0.01044 O8 0.20825 0.26879 0.43905 1.00000 0.01187 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 NaX 0.01760 0.01760 0.01760 0.00880 0.00000 0.00000 CaX 0.01760 0.01760 0.01760 0.00880 0.00000 0.00000 KX 0.01760 0.01760 0.01760 0.00880 0.00000 0.00000 CrY 0.00497 0.00441 0.00696 0.00248 -0.00106 -0.00053 MgY 0.00497 0.00441 0.00696 0.00248 -0.00106 -0.00053 AlY 0.00497 0.00441 0.00696 0.00248 -0.00106 -0.00053 TiY 0.00497 0.00441 0.00696 0.00248 -0.00106 -0.00053 AlZ 0.00558 0.00603 0.00675 0.00282 -0.00016 0.00023 MgZ 0.00558 0.00603 0.00675 0.00282 -0.00016 0.00023 FeZ 0.00558 0.00603 0.00675 0.00282 -0.00016 0.00023 VZ 0.00558 0.00603 0.00675 0.00282 -0.00016 0.00023 CrZ 0.00558 0.00603 0.00675 0.00282 -0.00016 0.00023 Si 0.00543 0.00513 0.00684 0.00257 -0.00059 -0.00058 B 0.00720 0.00660 0.01020 0.00330 0.00000 0.00010 O1 0.00860 0.00860 0.00960 0.00430 0.00000 0.00000 F1 0.00860 0.00860 0.00960 0.00430 0.00000 0.00000 O-H1 0.00860 0.00860 0.00960 0.00430 0.00000 0.00000 O2 0.00820 0.00690 0.01150 0.00350 0.00034 0.00070 O3 0.01650 0.01350 0.00600 0.00820 0.00090 0.00040 O4 0.00880 0.01720 0.01030 0.00860 -0.00020 -0.00050 O5 0.01560 0.00810 0.01080 0.00780 0.00160 0.00080 O6 0.01130 0.00810 0.00720 0.00510 -0.00060 -0.00110 O7 0.00920 0.00790 0.01080 0.00170 -0.00290 -0.00100 O8 0.00610 0.00980 0.01940 0.00380 0.00110 0.00260