data_global
_chemical_name_mineral 'Fersmite'
loop_
_publ_author_name
'Gurbanova O A'
'Rastsvetaeva R K'
'Kashaev A A'
'Smolin A S'
_journal_name_full 'Crystallography Reports'
_journal_volume 46 
_journal_year 2001
_journal_page_first 194
_journal_page_last 195
_publ_section_title
;
 Refined crystal structure of TR-fersmite (TR = Ce)
;
_database_code_amcsd 0012371
_chemical_compound_source 'Ust'-Biran deposit'
_chemical_formula_sum '(Ca.89 Ce.11) (Nb1.3 Ti.7) O6'
_cell_length_a 5.762
_cell_length_b 14.988
_cell_length_c 5.246
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 453.049
_exptl_crystal_density_diffrn      4.418
_symmetry_space_group_name_H-M 'P c a n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,y,1/2+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-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
CaA   0.22600   0.50000   0.25000   0.89000   0.01216
CeA   0.22600   0.50000   0.25000   0.11000   0.01216
NbB   0.18270   0.16620   0.29990   0.65000   0.01039
TiB   0.18270   0.16620   0.29990   0.35000   0.01039
O1   0.39950   0.08860   0.40400   1.00000   0.01849
O2   0.42980   0.40130   0.51100   1.00000   0.01887
O3   0.36500   0.25760   0.12850   1.00000   0.01646