data_global
_chemical_name_mineral 'Pretulite'
loop_
_publ_author_name
'Moelo Y'
'Lulzac Y'
'Rouer O'
'Palvadeau P'
'Gloaguen E'
'Leone P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 40 
_journal_year 2002
_journal_page_first 1657
_journal_page_last 1673
_publ_section_title
;
 Scandium mineralogy: pretulite with scandian zircon and xenotime-(Y)
 with an apatite-rich oolitic ironstone from Saint-Aubin-des-Chateaux,
 Armorican Massif, France
;
_database_code_amcsd 0005799
_chemical_compound_source 'Saint-Aubin-des-Chateaux, Armorican Massif, France'
_chemical_formula_sum '(Sc.904 Y.032 Yb.016 Zr.048) (P.952 Si.048) O4'
_cell_length_a 6.5870
_cell_length_b 6.5870
_cell_length_c 5.809
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 252.044
_exptl_crystal_density_diffrn      3.833
_symmetry_space_group_name_H-M 'I 41/a m d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,1/4+z'
  '3/4-y,1/4-x,3/4+z'
  '1/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,1/2+z'
  '+x,1/2-y,+z'
  '1/2-x,y,1/2-z'
  '-x,1/2+y,-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,3/4+z'
  '3/4+y,3/4+x,1/4+z'
  '1/4-y,1/4-x,3/4-z'
  '3/4-y,3/4-x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Sc   0.00000   0.75000   0.12500   0.90400   0.00900
Y   0.00000   0.75000   0.12500   0.03200   0.00900
Yb   0.00000   0.75000   0.12500   0.01600   0.00900
Zr   0.00000   0.75000   0.12500   0.04800   0.00900
P   0.00000   0.25000   0.37500   0.95200   0.00700
Si   0.00000   0.25000   0.37500   0.04800   0.00700
O   0.18060   0.75000   0.43600   1.00000   0.00900