data_global
_chemical_name_mineral 'Tiettaite'
loop_
_publ_author_name
'Panikorovskii T L'
'Pekov I V'
'Krzhizhanovskaya M G'
'Yakovenchuk V N'
'Britven S N'
'Gurzhiy V V'
'Bocharov V N'
'Yapaskurt V O'
'Krivovichev S V'
_journal_name_full 'Crystallography Reports'
_journal_volume 66 
_journal_year 2021
_journal_page_first 76
_journal_page_last 85
_publ_section_title
;
 Tiettaite K4Na12Fe3+Si16O41(OH)4·2H2O: A mineral with a novel type of
 microporous heteropolyhedral framework
;
_database_code_amcsd 0020968
_chemical_compound_source 'Khibiny alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'K4 Na10 Fe Si16 O50.3 H14.1'
_cell_length_a 28.866
_cell_length_b 10.707
_cell_length_c 17.425
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 5385.514
_exptl_crystal_density_diffrn      2.110
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
K1   0.50000   0.92300   0.66400   1.00000   0.00370
K2   0.50000   0.45600   0.64600   1.00000   0.00370
Na1   0.50000   0.26600   0.57700   1.00000   0.00570
Na2   0.35800   0.92400   0.63600   1.00000   0.00570
Na3   0.33900   0.00000   0.50000   1.00000   0.00570
Na4   0.35700   0.46400   0.50100   0.50000   0.00570
Fe1   0.45020   0.00000   0.50000   0.50000   0.00100
Si1   0.44500   0.82800   0.25000   1.00000   0.00270
Si2   0.39590   0.77100   0.40800   1.00000   0.00270
Si3   0.44900   0.70000   0.54500   1.00000   0.00270
Si4   0.39000   0.60100   0.69800   0.50000   0.00270
Si5   0.29100   0.71000   0.34100   0.50000   0.00270
Si6   0.28300   0.41200   0.33800   0.50000   0.00270
O1   0.39900   0.91800   0.43700   1.00000   0.00270
O2   0.45000   0.84900   0.56600   1.00000   0.00270
O3   0.50000   0.64800   0.53600   1.00000   0.00270
O4   0.42200   0.62200   0.61600   1.00000   0.00270
O5   0.42200   0.68100   0.46600   1.00000   0.00270
O6   0.34000   0.72200   0.39600   1.00000   0.00270
O7   0.41900   0.76800   0.32900   1.00000   0.00270
O8   0.50000   0.79200   0.25000   1.00000   0.00270
O9   0.43900   0.98400   0.25000   1.00000   0.00270
O-H10   0.50000   0.07000   0.56500   1.00000   0.00270
O-H11   0.50000   0.69900   0.68400   1.00000   0.00270
O-H12   0.29000   0.98400   0.75000   1.00000   0.00270
O13   0.39000   0.73100   0.75000   1.00000   0.00270
O14   0.41300   0.49000   0.75000   0.50000   0.00270
O15   0.33700   0.56700   0.67400   0.50000   0.00270
O16   0.33200   0.39000   0.38200   0.25000   0.00270
O17   0.29000   0.38600   0.25000   0.50000   0.00270
O18   0.26600   0.56700   0.35200   0.50000   0.00270
O-H19   0.30300   0.73300   0.25000   0.75000   0.00270
O-H20   0.25500   0.81800   0.37100   0.50000   0.00270
Wat21   0.27769   0.89356   0.40283   0.37500   0.00270
O-h21   0.27769   0.89356   0.40283   0.12500   0.00270
Wat22   0.25469   0.09356   0.50883   0.20000   0.00270