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 1991c
;
_database_code_amcsd 0018562
_chemical_compound_source 'Kangerdluarssuk, Ilimaussaq, Greenland'
_chemical_formula_sum 'Ca3.48 Sm.04 Nd.24 Pr.06 Ce.5 La.18 Y.1 (Ti.64 Nb.33 Zr.03) Na2.28 Si4 O15.4 F2.6'
_cell_length_a 7.4328
_cell_length_b 5.6595
_cell_length_c 18.8181
_cell_angle_alpha 90
_cell_angle_beta 101.353
_cell_angle_gamma 90
_cell_volume 776.112
_exptl_crystal_density_diffrn      3.496
_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   0.09387   0.65970   0.19180   0.70000   0.01475
SmMH   0.09387   0.65970   0.19180   0.01000   0.01475
NdMH   0.09387   0.65970   0.19180   0.07000   0.01475
PrMH   0.09387   0.65970   0.19180   0.02000   0.01475
CeMH   0.09387   0.65970   0.19180   0.14000   0.01475
LaMH   0.09387   0.65970   0.19180   0.05000   0.01475
YMH   0.09387   0.65970   0.19180   0.03000   0.01475
CaAP   0.59679   0.66290   0.19029   0.76000   0.01572
SmAP   0.59679   0.66290   0.19029   0.01000   0.01572
NdAP   0.59679   0.66290   0.19029   0.05000   0.01572
PrAP   0.59679   0.66290   0.19029   0.01000   0.01572
CeAP   0.59679   0.66290   0.19029   0.11000   0.01572
LaAP   0.59679   0.66290   0.19029   0.04000   0.01572
YAP   0.59679   0.66290   0.19029   0.02000   0.01572
TiMO(1)   0.00000   0.00000   0.00000   0.64000   0.02410
NbMO(1)   0.00000   0.00000   0.00000   0.33000   0.02410
ZrMO(1)   0.00000   0.00000   0.00000   0.03000   0.02410
NaMO(2)   0.50000   0.00000   0.00000   1.00000   0.02070
NaMO(3)   0.75082   0.50105   0.00059   0.64000   0.03300
CaMO(3)   0.75082   0.50105   0.00059   0.28000   0.03300
Si(1)   0.35095   0.15441   0.14023   1.00000   0.01340
Si(2)   0.78379   0.15361   0.13782   1.00000   0.01330
O(1)   0.21620   0.15060   0.06154   1.00000   0.02410
O(2)   0.83230   0.14140   0.05804   1.00000   0.02360
O(3)   0.33840   0.39540   0.18501   1.00000   0.02170
O(4)   0.84370   0.39660   0.18042   1.00000   0.02460
O(5)   0.33520   0.92990   0.19112   1.00000   0.01950
O(6)   0.85380   0.93190   0.18976   1.00000   0.01930
O(7)   0.55750   0.14120   0.12067   1.00000   0.03050
OXOM   0.03140   0.70290   0.06158   0.70000   0.02700
FXOM   0.03140   0.70290   0.06158   0.30000   0.02700
FXOA   0.53120   0.65720   0.06383   1.00000   0.03250