data_global
_chemical_name_mineral 'Tveitite'
loop_
_publ_author_name
'Yakubovich O V'
'Massa W'
'Pekov I V'
'Gavrilenko P G'
_journal_name_full 'Crystallography Reports'
_journal_volume 52 
_journal_year 2007
_journal_page_first 71
_journal_page_last 79
_publ_section_title
;
 Crystal structure of tveitite-(Y): fractionation of rare-earth elements
 between positions and the variety of defects
;
_database_code_amcsd 0012393
_chemical_compound_source 'Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia'
_chemical_formula_sum 'Y5.298 Na1.958 Ca9.434 Nd.954 Ho.48 F41.06'
_cell_length_a 17.020
_cell_length_b 17.020
_cell_length_c 9.679
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2428.176
_exptl_crystal_density_diffrn      3.880
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
YA1   0.87106   0.01720   0.82517   0.88300   0.01050
NaA1   0.87106   0.01720   0.82517   0.11000   0.01050
CaA2   0.76076   0.03251   0.16022   0.84100   0.01410
NdA2   0.76076   0.03251   0.16022   0.15900   0.01410
CaA3   0.73790   0.89618   0.49980   0.71600   0.01100
NaA3   0.73790   0.89618   0.49980   0.20400   0.01100
HoA3   0.73790   0.89618   0.49980   0.08000   0.01100
CaA4   0.00000   0.00000   0.50000   0.09200   0.01690
NaA4   0.00000   0.00000   0.50000   0.07400   0.01690
F1   0.87160   0.01880   0.58550   1.00000   0.01760
F2   0.73250   0.89690   0.74490   1.00000   0.01730
F3   0.89020   0.15700   0.74830   1.00000   0.01480
F4   0.75530   0.03650   0.41130   1.00000   0.01650
F5   0.75030   0.03310   0.90580   1.00000   0.01810
F6   0.80440   0.91840   0.99810   0.72000   0.02710
F7   0.88980   0.90320   0.76460   0.71000   0.03500
F8   0.85930   0.87650   0.91710   0.30000   0.01800
F9   0.00000   0.00000   0.92900   0.06000   0.03000
F10   0.00000   0.00000   0.75000   0.10000   0.02100
F11   0.00100   0.02900   0.97300   0.06000   0.03300