data_global
_chemical_name_mineral 'Rinkite'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Borutskii B E'
'Shlyukova Z V'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 36 
_journal_year 1991
_journal_page_first 349
_journal_page_last 351
_publ_section_title
;
 Crystal structure of Hibbing rinkite
;
_database_code_amcsd 0019464
_chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Si4 Ti Na2.4 Ca3.7 Ce.9 O14.5 F3.5'
_cell_length_a 5.679
_cell_length_b 7.412
_cell_length_c 18.836
_cell_angle_alpha 101.26
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 777.597
_exptl_crystal_density_diffrn      3.367
_symmetry_space_group_name_H-M 'P 21 1 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-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
Si1   0.35020   0.09340   0.38790   1.00000   0.01254
Si2   0.34900   0.52710   0.38910   1.00000   0.03078
Si3   0.65840   0.95280   0.11020   1.00000   0.00925
Si4   0.65800   0.38560   0.11260   1.00000   0.02457
Ti   0.50830   0.74800   0.25120   1.00000   0.02938
Na   0.50690   0.26420   0.25190   1.00000   0.02115
NaM1   0.00830   0.50440   0.25050   0.70000   0.02280
CaM1   0.00830   0.50440   0.25050   0.30000   0.02280
NaM2   0.00620   0.99770   0.25160   0.70000   0.02647
CaM2   0.00620   0.99770   0.25160   0.30000   0.02647
CaM3   0.84240   0.84680   0.44210   0.80000   0.01570
CeM3   0.84240   0.84680   0.44210   0.20000   0.01570
CaM4   0.16520   0.65140   0.05810   0.70000   0.01786
CeM4   0.16520   0.65140   0.05810   0.30000   0.01786
CaM5   0.83950   0.34560   0.44100   0.80000   0.02178
CeM5   0.83950   0.34560   0.44100   0.20000   0.02178
CaM6   0.16740   0.15800   0.05980   0.80000   0.02229
CeM6   0.16740   0.15800   0.05980   0.20000   0.02229
O1   0.56600   0.08590   0.44030   1.00000   0.02280
O2   0.89700   0.41460   0.06840   1.00000   0.01900
O3   0.10800   0.59900   0.43190   1.00000   0.03926
O4   0.57100   0.60300   0.44210   1.00000   0.01267
O5   0.35300   0.57800   0.31090   1.00000   0.02533
O6   0.89800   0.90500   0.06380   1.00000   0.01773
O7   0.64800   0.89300   0.18970   1.00000   0.02660
O8   0.43600   0.88900   0.06060   1.00000   0.05319
O9   0.36800   0.96100   0.30780   1.00000   0.03040
O10   0.65400   0.51200   0.19180   1.00000   0.02406
O11   0.36600   0.30000   0.36840   1.00000   0.03926
O12   0.64600   0.17700   0.12980   1.00000   0.03040
O13   0.43300   0.41300   0.05940   1.00000   0.03420
O14   0.09800   0.08500   0.42380   1.00000   0.05066
F1   0.79300   0.77600   0.31120   1.00000   0.02786
F2   0.15800   0.21500   0.18890   0.75000   0.03800
O2   0.15800   0.21500   0.18890   0.25000   0.03800
F3   0.19700   0.71700   0.19010   0.75000   0.04306
O3   0.19700   0.71700   0.19010   0.25000   0.04306
F4   0.84800   0.27800   0.31320   1.00000   0.04433