data_global
_chemical_name_mineral 'Nioboaeschynite-(Ce)'
loop_
_publ_author_name
'Morrison S M'
'Downs R T'
'Domanik K J'
'Yang H'
'Doell D'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 68 
_journal_year 2012
_journal_page_first i64
_journal_page_last i65
_publ_section_title
;
 Nioboaeschynite-(Ce), Ce(NbTi)O6
;
_database_code_amcsd 0019173
_chemical_compound_source 'Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada'
_chemical_formula_sum 'Ce.348 Nd.14 La.12 Pr.04 Sm.02 Y.02 Gd.01 Th.06 Fe.03 Sr.01 Ca.25 (Nb1.14 Ti.86) O6'
_cell_length_a 11.0563
_cell_length_b 7.560
_cell_length_c 5.3637
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 448.328
_exptl_crystal_density_diffrn      5.440
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
CeA   0.45727   0.25000   0.03835   0.31000   0.00893
NdA   0.45727   0.25000   0.03835   0.14000   0.00893
LaA   0.45727   0.25000   0.03835   0.12000   0.00893
PrA   0.45727   0.25000   0.03835   0.04000   0.00893
SmA   0.45727   0.25000   0.03835   0.02000   0.00893
YA   0.45727   0.25000   0.03835   0.02000   0.00893
GdA   0.45727   0.25000   0.03835   0.01000   0.00893
ThA   0.45727   0.25000   0.03835   0.06000   0.00893
FeA   0.45727   0.25000   0.03835   0.03000   0.00893
SrA   0.45727   0.25000   0.03835   0.01000   0.00893
CaA*   0.43380   0.25000   0.05000   0.25000   0.01800
NbB   0.35726   0.50690   0.53830   0.57000   0.01227
TiB   0.35726   0.50690   0.53830   0.43000   0.01227
O1   0.28750   0.44170   0.87200   1.00000   0.01260
O2   0.52590   0.46150   0.73100   1.00000   0.01050
O3   0.62210   0.25000   0.33890   1.00000   0.01240
O4   0.35600   0.25000   0.45260   1.00000   0.01230
CeC   0.15860   0.25000   0.57800   0.03800   0.06300
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
CeA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
NdA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
LaA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
PrA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
SmA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
YA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
GdA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
ThA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
FeA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
SrA 0.01220 0.00590 0.00870 0.00000 0.00050 0.00000
NbB 0.01110 0.01448 0.01123 0.00121 -0.00065 0.00082
TiB 0.01110 0.01448 0.01123 0.00121 -0.00065 0.00082
O1 0.01330 0.01090 0.01370 0.00140 0.00410 0.00140
O2 0.01270 0.00960 0.00910 -0.00040 0.00160 0.00050
O3 0.01140 0.00620 0.01950 0.00000 0.00160 0.00000
O4 0.01230 0.00660 0.01790 0.00000 0.00160 0.00000