data_global
_chemical_name_mineral 'Calciotantite'
loop_
_publ_author_name
'Yamnova N A'
'Pushcharovsky D Yu'
'Voloshin A V'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 33 
_journal_year 1988
_journal_page_first 498
_journal_page_last 499
_publ_section_title
;
 Identity of ungursaite with calciotantite and synthetic CaTa4O11
 Note: displacement parameters taken from ICSD
;
_database_code_amcsd 0015587
_chemical_compound_source 'Kola Peninsula, Russia'
_chemical_formula_sum '(Ca.94 Na.06) Ta3.86 Nb.13 O10.97'
_cell_length_a 6.245
_cell_length_b 6.245
_cell_length_c 12.323
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 416.209
_exptl_crystal_density_diffrn      7.382
_symmetry_space_group_name_H-M 'P 63 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,1/2-z'
  'x-y,x,1/2+z'
  'y,x,-z'
  '-y,x-y,z'
  '-x+y,y,1/2-z'
  '-x,-y,1/2+z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-y,-x,1/2-z'
  'y,-x+y,1/2+z'
  'x-y,-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
Ca   0.33333   0.66667   0.75000   0.94000   0.00443
Na   0.33333   0.66667   0.75000   0.06000   0.00443
Ta1   0.35897   0.00000   0.00000   1.00000   0.00236
Ta2   0.33333   0.66667   0.25000   0.86000   0.00279
Nb2   0.33333   0.66667   0.25000   0.13000   0.00279
O1   0.37500   0.94300   0.15540   0.99500   0.00507
O2   0.75700   0.00000   0.00000   1.00000   0.00127
O3   0.33333   0.66667   0.96630   1.00000   0.00127
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
Ca 0.00405 0.00405 0.00507 0.00203 0.00000 0.00000
Na 0.00405 0.00405 0.00507 0.00203 0.00000 0.00000
Ta1 0.00329 0.00089 0.00241 0.00051 -0.00063 -0.00025
Ta2 0.00279 0.00279 0.00278 0.00139 0.00000 0.00000
Nb2 0.00279 0.00279 0.00278 0.00139 0.00000 0.00000
O1 0.00760 0.00633 0.00253 0.00507 0.00253 0.00380
O2 0.00253 0.00000 0.00253 0.00000 0.01140 0.00506
O3 0.00127 0.00127 0.00000 0.00076 0.00000 0.00000