data_global
_chemical_name_mineral 'Atelisite-(Y)'
loop_
_publ_author_name
'Malcherek T'
'Mihailova B'
'Schluter J'
'Husdal T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 1053
_journal_page_last 1060
_publ_section_title
;
 Atelisite-(Y), a new rare earth defect silicate of the KDP structure type
;
_database_code_amcsd 0019605
_chemical_compound_source 'Stetind quarry, Tysfjord, Norway'
_chemical_formula_sum 'Si.73 (Y.78 Yb.12 Er.05 Dy.03 Gd.02) O4 H2'
_cell_length_a 6.947
_cell_length_b 6.947
_cell_length_c 6.133
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 295.984
_exptl_crystal_density_diffrn      4.331
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-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
Si   0.00000   0.50000   0.25000   0.73000   0.00760
Y   0.00000   0.50000   0.75000   0.78000   0.00860
Yb   0.00000   0.50000   0.75000   0.12000   0.00860
Er   0.00000   0.50000   0.75000   0.05000   0.00860
Dy   0.00000   0.50000   0.75000   0.03000   0.00860
Gd   0.00000   0.50000   0.75000   0.02000   0.00860
O   0.82090   0.54690   0.08520   1.00000   0.01370
H   0.80000   0.68000   0.15000   0.50000   0.04000
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
Si 0.00810 0.00810 0.00670 0.00000 0.00000 0.00000
Y 0.00990 0.00990 0.00590 0.00000 0.00000 0.00000
Yb 0.00990 0.00990 0.00590 0.00000 0.00000 0.00000
Er 0.00990 0.00990 0.00590 0.00000 0.00000 0.00000
Dy 0.00990 0.00990 0.00590 0.00000 0.00000 0.00000
Gd 0.00990 0.00990 0.00590 0.00000 0.00000 0.00000
O 0.00930 0.01980 0.01220 -0.00080 -0.00120 0.00400