data_global
_chemical_name_mineral 'Fluocerite-(La)'
loop_
_publ_author_name
'Zalkin A'
'Templeton D H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 41 
_journal_year 1985
_journal_page_first 91
_journal_page_last 93
_publ_section_title
;
 Refinement of the trigonal structure of lanthanum trifluoride
 with neutron diffraction data
 Note: neutron data
;
_database_code_amcsd 0020644
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'La F3'
_cell_length_a 7.185
_cell_length_b 7.185
_cell_length_c 7.351
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 328.648
_exptl_crystal_density_diffrn      5.939
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
La   0.65980   0.00000   0.25000
F1   0.36590   0.05360   0.08130
F2   0.33333   0.66667   0.18590
F3   0.00000   0.00000   0.25000
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
La 0.00549 0.00549 0.00493 0.00275 0.00046 0.00070
F1 0.02216 0.01510 0.00876 0.01295 -0.00046 -0.00209
F2 0.00706 0.00706 0.02026 0.00353 0.00000 0.00000
F3 0.00804 0.00804 0.04024 0.00412 0.00000 0.00000