data_global
_chemical_name_mineral 'Isolueshite'
loop_
_publ_author_name
'Krivovichev S V'
'Chakhmouradian A R'
'Mitchell R H'
'Filatov S K'
'Chukanov N V'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 597
_journal_page_last 607
_publ_section_title
;
 Crystal structure of isolueshite and its synthetic compositional analogue
 Sample: isolueshite
;
_database_code_amcsd 0006836
_chemical_formula_sum '(Na.75 La.19 Ca.06) (Nb.5 Ti.5) O3'
_cell_length_a 3.909
_cell_length_b 3.909
_cell_length_c 3.909
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 59.731
_exptl_crystal_density_diffrn      4.571
_symmetry_space_group_name_H-M 'P m -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
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
Na   0.00000   0.00000   0.00000   0.75000   0.01820
La   0.00000   0.00000   0.00000   0.19000   0.01820
Ca   0.00000   0.00000   0.00000   0.06000   0.01820
Nb   0.50000   0.50000   0.50000   0.50000   0.01340
Ti   0.50000   0.50000   0.50000   0.50000   0.01340
O   0.57900   0.00000   0.50000   0.25000   0.02900
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
Na 0.01820 0.01820 0.01820 0.00000 0.00000 0.00000
La 0.01820 0.01820 0.01820 0.00000 0.00000 0.00000
Ca 0.01820 0.01820 0.01820 0.00000 0.00000 0.00000
Nb 0.01340 0.01340 0.01340 0.00000 0.00000 0.00000
Ti 0.01340 0.01340 0.01340 0.00000 0.00000 0.00000
O 0.02500 0.01200 0.05000 0.00000 0.00000 0.00000