data_global
_chemical_name_mineral 'Paratsepinite-Na'
loop_
_publ_author_name
'Organova N I'
'Krivovichev S V'
'Shlyukova Z V'
'Zadov A E'
'Rozhdestvenskaya I V'
'Ivanova T I'
_journal_name_full 'Crystallography Reports'
_journal_volume 49 
_journal_year 2004
_journal_page_first 946
_journal_page_last 952
_publ_section_title
;
 Structure of new mineral paratsepinite-Na and its place in the labuntsovite
 group
;
_database_code_amcsd 0012388
_chemical_compound_source 'Khibiny massif, Mt Khibinpakhchorr, Russia'
_chemical_formula_sum 'K.4 Ba.05 Sr.8 Na1.4 Ca.4 (Ti2.4 Nb1.6) Si8 O35.3 H14.6'
_cell_length_a 14.596
_cell_length_b 14.249
_cell_length_c 15.852
_cell_angle_alpha 90
_cell_angle_beta 117.270
_cell_angle_gamma 90
_cell_volume 2930.450
_exptl_crystal_density_diffrn      2.739
_symmetry_space_group_name_H-M 'C 1 2/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'
  '-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
K1   0.50000   0.31940   0.50000   0.20000   0.15400
BaK1   0.50000   0.31940   0.50000   0.05000   0.15400
K2   0.00000   0.61360   0.00000   0.20000   0.14800
SrK2   0.00000   0.61360   0.00000   0.20000   0.14800
Na1   0.25110   0.00000   0.25320   0.20000   0.02600
Na2  -0.03270   0.87010  -0.05740   0.60000   0.18500
Sr1   0.74900   0.50000   0.74850   0.20000   0.01680
CaSr1   0.74900   0.50000   0.74850   0.20000   0.01680
Sr2   0.46670   0.12320   0.43660   0.10000   0.19900
CaSr2   0.46670   0.12320   0.43660   0.10000   0.19900
Ti1   0.24970   0.73996   0.25020   0.60000   0.02710
NbTi1   0.24970   0.73996   0.25020   0.40000   0.02710
Ti2   0.50000   0.25000   0.25030   0.60000   0.02770
NbTi2   0.50000   0.25000   0.25030   0.40000   0.02770
Si1   0.69370   0.38920   0.38230   1.00000   0.01390
Si2   0.30510   0.11140   0.11740   1.00000   0.01490
Si3   0.69530   0.38860   0.89570   1.00000   0.01360
Si4   0.80550   0.38820   0.60430   1.00000   0.01590
O1   0.40110   0.26070   0.30150   1.00000   0.02200
O2   0.67160   0.50000   0.88290   1.00000   0.03000
O3   0.74200   0.35970   0.65870   1.00000   0.02500
O4   0.73540   0.36300   0.49320   1.00000   0.02800
O5   0.82630   0.50000   0.61280   1.00000   0.03300
O6   0.57450   0.35880   0.32810   1.00000   0.02800
O7   0.09880   0.74110   0.19830   1.00000   0.01480
O8   0.58710   0.33400   0.85660   1.00000   0.02800
O9   0.91360   0.33500   0.64410   1.00000   0.02500
O10   0.76420   0.36260   0.00740   1.00000   0.03500
O11   0.76350   0.33570   0.34420   1.00000   0.02000
O12   0.76000   0.36120   0.83990   1.00000   0.01800
O13   0.23610   0.16550   0.15590   1.00000   0.02300
O14   0.42420   0.14040   0.17440   1.00000   0.02500
O15   0.29130   0.00000   0.12820   1.00000   0.02800
O16   0.70380   0.50000   0.36840   1.00000   0.03700
Wat1   0.56100   0.50000   0.66500   1.00000   0.06300
Wat2   0.93000   0.50000   0.83000   1.00000   0.05100
Wat3   0.07400   0.00000   0.15100   1.00000   0.14700
Wat4   0.07160   0.50000   0.65400   0.30000   0.10700
Sr4   0.07160   0.50000   0.65400   0.20000   0.10700
Wat5   0.40990   0.25870   0.49640   1.00000   0.02000
Wat6  -0.08890   0.74350  -0.00330   1.00000   0.01940