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