data_global _chemical_name_mineral 'Chromo-alumino-povondraite' loop_ _publ_author_name 'Reznitskii L' 'Clark C M' 'Hawthorne F C' 'Grice J D' 'Skogby H' 'Halenius U' 'Bosi F' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1767 _journal_page_last 1773 _publ_section_title ; Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup ; _database_code_amcsd 0020335 _chemical_compound_source 'Sludyanka, Lake Baikal, Russia' _chemical_formula_sum 'Na.87 Ca.07 K.02 Cr3.47 Mg2.25 Al3.08 V.22 Fe.01 B3 Si5.96 O30.75 F.25 H3.02' _cell_length_a 16.0277 _cell_length_b 16.0277 _cell_length_c 7.30850 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1625.928 _exptl_crystal_density_diffrn 3.227 _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 0.22801 0.87000 0.02030 CaX 0.00000 0.00000 0.22801 0.07000 0.02030 KX 0.00000 0.00000 0.22801 0.02000 0.02030 CrY 0.12380 0.06190 0.63723 0.76333 0.00552 MgY 0.12380 0.06190 0.63723 0.23667 0.00552 AlZ 0.29790 0.26191 0.60938 0.50667 0.00450 MgZ 0.29790 0.26191 0.60938 0.25667 0.00450 CrZ 0.29790 0.26191 0.60938 0.19667 0.00450 VZ 0.29790 0.26191 0.60938 0.03667 0.00450 FeZ 0.29790 0.26191 0.60938 0.00167 0.00450 B 0.10993 0.21986 0.45490 1.00000 0.00720 Si 0.19043 0.18870 0.00000 0.99333 0.00570 Al 0.19043 0.18870 0.00000 0.00667 0.00570 O1 0.00000 0.00000 0.76610 0.73000 0.00720 F1 0.00000 0.00000 0.76610 0.25000 0.00720 O-H1 0.00000 0.00000 0.76610 0.02000 0.00720 O2 0.06037 0.12074 0.48900 1.00000 0.00680 O3 0.25735 0.12868 0.51027 1.00000 0.01050 H3 0.25750 0.12870 0.39500 1.00000 0.01600 O4 0.09256 0.18511 0.07144 1.00000 0.01060 O5 0.18285 0.09142 0.09074 1.00000 0.01000 O6 0.19226 0.18294 0.78002 1.00000 0.00773 O7 0.28334 0.28296 0.07444 1.00000 0.00938 O8 0.20763 0.26830 0.43859 1.00000 0.01093 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 0.02120 0.02120 0.01860 0.01060 0.00000 0.00000 CaX 0.02120 0.02120 0.01860 0.01060 0.00000 0.00000 KX 0.02120 0.02120 0.01860 0.01060 0.00000 0.00000 CrY 0.00518 0.00495 0.00650 0.00259 -0.00074 -0.00037 MgY 0.00518 0.00495 0.00650 0.00259 -0.00074 -0.00037 AlZ 0.00424 0.00464 0.00442 0.00207 0.00002 0.00026 MgZ 0.00424 0.00464 0.00442 0.00207 0.00002 0.00026 CrZ 0.00424 0.00464 0.00442 0.00207 0.00002 0.00026 VZ 0.00424 0.00464 0.00442 0.00207 0.00002 0.00026 FeZ 0.00424 0.00464 0.00442 0.00207 0.00002 0.00026 B 0.00650 0.00730 0.00830 0.00360 0.00030 0.00050 Si 0.00567 0.00524 0.00609 0.00266 -0.00042 -0.00050 Al 0.00567 0.00524 0.00609 0.00266 -0.00042 -0.00050 O1 0.00710 0.00710 0.00730 0.00350 0.00000 0.00000 F1 0.00710 0.00710 0.00730 0.00350 0.00000 0.00000 O-H1 0.00710 0.00710 0.00730 0.00350 0.00000 0.00000 O2 0.00660 0.00480 0.00830 0.00240 0.00029 0.00060 O3 0.01380 0.01280 0.00540 0.00690 0.00070 0.00036 O4 0.00850 0.01740 0.00870 0.00870 -0.00020 -0.00040 O5 0.01610 0.00790 0.00870 0.00810 0.00110 0.00050 O6 0.01040 0.00800 0.00550 0.00520 -0.00040 -0.00090 O7 0.00840 0.00720 0.00920 0.00150 -0.00240 -0.00050 O8 0.00550 0.00940 0.01730 0.00330 0.00100 0.00310