data_global
_chemical_name_mineral 'Ivanyukite-Na'
loop_
_publ_author_name
'Yakovenchuk V N'
'Nikolaev A P'
'Selivanova E A'
'Pakhomovsky Y A'
'Korchak J A'
'Spiridonova D V'
'Zalkind O A'
'Krivovichev S V'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 1450
_journal_page_last 1458
_publ_section_title
;
 Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu:
 New microporous titanosilicates from the Khibiny massif
 (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T
 Note: trigonal polytype, Ivanyukite-Na-T
;
_database_code_amcsd 0004993
_chemical_compound_source 'Koashva Mountain, Khibiny Massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Ti12 Si9 K1.56 Na4.32 O68 H40'
_cell_length_a 10.921
_cell_length_b 10.921
_cell_length_c 13.885
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1434.172
_exptl_crystal_density_diffrn      2.450
_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
Ti1   0.47930   0.23970   0.35290   1.00000   0.02600
Ti2   0.66667   0.33333   0.17470   1.00000   0.03300
Si   0.33230   0.16610   0.14610   1.00000   0.03100
K   0.66667   0.33333   0.61810   0.52000   0.03800
Na   0.19740   0.39490   0.20620   0.48000   0.02900
O1   0.33170   0.16580   0.26650   1.00000   0.03700
O2   0.26160   0.00610   0.10360   1.00000   0.03300
O3   0.49340   0.24670   0.10310   1.00000   0.03000
O4   0.66667   0.33333   0.42600   1.00000   0.03000
O5   0.59000   0.41000   0.27500   1.00000   0.03800
Wat6   0.14000   0.28000   0.35200   1.00000   0.09200
Wat7   0.09800   0.54910   0.23800   1.00000   0.07200
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
Ti1 0.02500 0.02330 0.02900 0.01260 0.00230 0.00110
Ti2 0.02700 0.02700 0.04500 0.01340 0.00000 0.00000
Si 0.02700 0.02600 0.04100 0.01340 -0.01400 -0.00680
O1 0.01200 0.04400 0.04500 0.00600 -0.01200 -0.00600
O2 0.03400 0.02600 0.03500 0.01300 -0.00700 -0.00400
O3 0.02700 0.02000 0.04500 0.01300 -0.02400 -0.01200
O4 0.02700 0.02700 0.03600 0.01300 0.00000 0.00000
O5 0.03900 0.03900 0.04100 0.02300 -0.00200 0.00200