data_global
_chemical_name_mineral 'Rinkite'
loop_
_publ_author_name
'Camara F'
'Sokolova E'
'Hawthorne F C'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 75 
_journal_year 2011
_journal_page_first 2755
_journal_page_last 2774
_publ_section_title
;
 From structure topology to chemical composition. XII. Titanium silicates:
 the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3
 Note: sample H-08-02
;
_database_code_amcsd 0018566
_chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum 'Ca4.16 Nd.08 Pr.04 Ce.3 La.16 Y.08 Sr.02 (Ti.67 Nb.29 Zr.04) Na2.08 Mn.02 Si4 O15.04 F2.96'
_cell_length_a 7.4132
_cell_length_b 5.6816
_cell_length_c 18.8455
_cell_angle_alpha 90
_cell_angle_beta 101.370
_cell_angle_gamma 90
_cell_volume 778.173
_exptl_crystal_density_diffrn      3.320
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-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
CaMH   0.09353   0.66103   0.19198   0.78000   0.01530
NdMH   0.09353   0.66103   0.19198   0.02000   0.01530
PrMH   0.09353   0.66103   0.19198   0.01000   0.01530
CeMH   0.09353   0.66103   0.19198   0.07000   0.01530
LaMH   0.09353   0.66103   0.19198   0.04000   0.01530
YMH   0.09353   0.66103   0.19198   0.02000   0.01530
CaAP   0.59661   0.66459   0.19059   0.85000   0.01760
SrAP   0.59661   0.66459   0.19059   0.01000   0.01760
NdAP   0.59661   0.66459   0.19059   0.02000   0.01760
PrAP   0.59661   0.66459   0.19059   0.01000   0.01760
CeAP   0.59661   0.66459   0.19059   0.08000   0.01760
LaAP   0.59661   0.66459   0.19059   0.04000   0.01760
YAP   0.59661   0.66459   0.19059   0.02000   0.01760
TiMO(1)   0.00000   0.00000   0.00000   0.67000   0.02440
NbMO(1)   0.00000   0.00000   0.00000   0.29000   0.02440
ZrMO(1)   0.00000   0.00000   0.00000   0.04000   0.02440
NaMO(2)   0.50000   0.00000   0.00000   1.00000   0.01970
NaMO(3)   0.75336   0.50100   0.00060   0.54000   0.03090
CaMO(3)   0.75336   0.50100   0.00060   0.45000   0.03090
MnMO(3)   0.75336   0.50100   0.00060   0.01000   0.03090
Si(1)   0.35070   0.15480   0.14025   1.00000   0.01380
Si(2)   0.78337   0.15350   0.13756   1.00000   0.01250
O(1)   0.21630   0.14960   0.06125   1.00000   0.02170
O(2)   0.83220   0.13840   0.05759   1.00000   0.02220
O(3)   0.33910   0.39660   0.18365   1.00000   0.02330
O(4)   0.84350   0.39870   0.17830   1.00000   0.02660
O(5)   0.33380   0.93260   0.19124   1.00000   0.02010
O(6)   0.85340   0.93440   0.19039   1.00000   0.02080
O(7)   0.55680   0.13810   0.12004   1.00000   0.02900
OXOM   0.03220   0.70490   0.06072   0.52000   0.02340
FXOM   0.03220   0.70490   0.06072   0.48000   0.02340
FXOA   0.53120   0.65560   0.06253   1.00000   0.03390