data_global
_chemical_name_mineral 'Tsepinite-Na'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Organova N I'
'Rozhdestvenskaya I V'
'Shlyukova Z V'
'Chukanov N V'
_journal_name_full 'Doklady Chemistry'
_journal_volume 371 
_journal_year 2000
_journal_page_first 52
_journal_page_last 56
_publ_section_title
;
 Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group
 from Khibiny massif
;
_database_code_amcsd 0012504
_chemical_compound_source 'Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na1.09 K.44 O32.44 Ba.08 Sr.2 Fe.02 (Ti2.2 Nb1.8) Si8 H6.94'
_cell_length_a 14.604
_cell_length_b 14.274
_cell_length_c 7.933
_cell_angle_alpha 90
_cell_angle_beta 117.40
_cell_angle_gamma 90
_cell_volume 1468.175
_exptl_crystal_density_diffrn      2.477
_symmetry_space_group_name_H-M 'C 1 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,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
Na1   0.77000   0.00000   0.47500   0.47000   0.06713
Na2   0.27500   0.00000   0.48500   0.62000   0.07852
K   0.08200   0.00000   0.30100   0.38000   0.07219
Wat   0.08200   0.00000   0.30100   0.22000   0.07219
Ba   0.89200   0.00000   0.63100   0.08000   0.04053
Sr   0.01500   0.00000   0.49500   0.20000   0.05319
Fe   0.01500   0.00000   0.49500   0.02000   0.05319
TiM1   0.00970   0.76430   0.49150   0.70000   0.02913
NbM1   0.00970   0.76430   0.49150   0.30000   0.02913
NbM2   0.76240   0.74870   0.48680   0.60000   0.03926
TiM2   0.76240   0.74870   0.48680   0.40000   0.03926
Si1   0.21700   0.88960   0.78000   1.00000   0.02406
Si2   0.69820   0.88970   0.74980   1.00000   0.01646
Si3   0.81080   0.89010   0.19260   1.00000   0.01520
Si4   0.32770   0.88960   0.22650   1.00000   0.02153
O-H31   0.50700   0.80900   0.98500   0.32000   0.09879
KOH31   0.50700   0.80900   0.98500   0.03000   0.09879
O-H32  -0.00800   0.82100   0.00100   0.26000   0.12412
O-H33   0.09600   0.76010  -0.01600   0.39000   0.11019
O1   0.91640   0.75810   0.58900   1.00000   0.01773
O2   0.93060   0.86420   0.30600   1.00000   0.03673
O3   0.26000   0.86500   0.32600   1.00000   0.04939
O4   0.27450   0.82600   0.69800   1.00000   0.05699
O5   0.44020   0.82950   0.30300   1.00000   0.02533
O6   0.36150   0.00000   0.25200   1.00000   0.02660
O7   0.25690   0.87700  -0.00200   1.00000   0.05573
O8   0.22410   0.00000   0.75200   1.00000   0.04433
O9   0.11820   0.76820   0.38300   1.00000   0.03800
O10   0.09410   0.86470   0.66000   1.00000   0.03293
O11   0.76230   0.85930   0.63000   1.00000   0.00887
O12   0.74090   0.83520   0.27000   1.00000   0.01393
O13   0.59650   0.83040   0.68300   1.00000   0.02786
O14   0.67910   0.00000   0.73400   1.00000   0.02533
O15   0.77330   0.86440   0.97200   1.00000   0.02153
O16   0.77900   0.00000   0.19500   1.00000   0.04179
Wat1   0.44500   0.00000   0.69100   1.00000   0.04053
Wat2   0.02300   0.00000   0.05700   0.37000   0.11019
Wat3   0.55200   0.00000   0.17100   0.71000   0.12538
Wat4  -0.02100   0.00000   0.78300   0.20000   0.09499