data_global _chemical_name_mineral 'Carbobystrite' loop_ _publ_author_name 'Khomyakov A P' 'Camara F' 'Sokolova E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 291 _journal_page_last 300 _publ_section_title ; Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure ; _database_code_amcsd 0006331 _chemical_compound_source 'the Khibina Alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum 'Na7.561 K.36 Si6 Al6 O30.48 C H6.96' _cell_length_a 12.6678 _cell_length_b 12.6678 _cell_length_c 10.3401 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1437.003 _exptl_crystal_density_diffrn 2.369 _symmetry_space_group_name_H-M 'P 3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' '-y,x-y,z' 'y,x,1/2+z' '-x+y,-x,z' '-x,-x+y,1/2+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 Na1 0.00000 0.00000 -0.05050 1.00000 0.03000 Na2 0.09410 0.54840 0.06460 1.00000 0.02100 Na3 0.38220 0.19200 0.78080 0.97700 0.02400 Na4 0.66667 0.33333 0.13430 0.63000 0.03300 K4 0.66667 0.33333 0.12160 0.36000 0.02000 Si1 0.25100 0.25170 0.01900 1.00000 0.00700 Al1 0.67450 0.08720 0.27020 1.00000 0.00800 Si2 0.08050 0.41920 0.76880 1.00000 0.00800 Al2 0.25500 -0.00070 0.01820 1.00000 0.00800 O1 0.37730 0.03050 0.41530 1.00000 0.01300 O2 0.26840 0.13880 -0.02490 1.00000 0.01300 O3 0.70810 -0.00140 0.16740 1.00000 0.01300 O4 0.66410 0.03170 0.42730 1.00000 0.01400 O5 0.20960 0.10840 0.50370 1.00000 0.01400 O6 0.05970 0.53040 0.72640 1.00000 0.01200 O7 0.22350 0.46480 0.75580 1.00000 0.01600 O8 0.00270 0.30720 0.17440 1.00000 0.01200 C 0.33333 0.66667 0.15880 1.00000 0.01800 O9 0.44810 0.72480 0.14650 1.00000 0.05500 Wat10 0.79790 0.44240 -0.07590 0.35000 0.05700 Wat11 0.55940 0.20520 -0.07160 0.47000 0.06500 Wat12 0.02300 -0.02070 -0.27170 0.34000 0.06300 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 Na1 0.02100 0.02100 0.04700 0.01100 0.00000 0.00000 Na2 0.02100 0.02100 0.02000 0.01000 0.00200 0.00100 Na3 0.03500 0.02200 0.01900 0.01800 0.00800 0.00400 Na4 0.02400 0.02400 0.05000 0.01200 0.00000 0.00000 K4 0.02100 0.02100 0.01900 0.01000 0.00000 0.00000 Si1 0.00800 0.00700 0.00700 0.00400 0.00000 0.00000 Al1 0.00800 0.00900 0.00800 0.00500 0.00000 0.00000 Si2 0.00900 0.00700 0.00700 0.00400 0.00000 0.00000 Al2 0.00800 0.00700 0.00800 0.00400 0.00000 -0.00100 O1 0.01100 0.01900 0.00800 0.00700 0.00200 0.00200 O2 0.01600 0.01000 0.01500 0.00800 0.00100 0.00000 O3 0.01700 0.01600 0.01000 0.01000 0.00100 -0.00100 O4 0.01800 0.02000 0.01000 0.01400 -0.00100 0.00200 O5 0.01700 0.00900 0.01800 0.00800 -0.00500 -0.00400 O6 0.01700 0.00900 0.01200 0.00900 -0.00100 0.00000 O7 0.01100 0.01700 0.02300 0.00800 0.00000 0.00000 O8 0.01400 0.01600 0.00900 0.00900 0.00000 -0.00300 C 0.01400 0.01400 0.02400 0.00700 0.00000 0.00000 O9 0.01700 0.02500 0.12100 0.00900 -0.01400 -0.00600 Wat10 0.03500 0.03900 0.07600 0.00300 -0.02800 -0.00300 Wat11 0.04700 0.04400 0.08700 0.01000 0.01700 0.01700 Wat12 0.09100 0.06000 0.03800 0.03600 -0.00900 -0.01600