data_global
_amcsd_formula_title 'Lu(AsO4)'
loop_
_publ_author_name
'Lohmuller G'
'Schmidt G'
'Deppisch B'
'Gramlich V'
'Scheringer C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 29 
_journal_year 1973
_journal_page_first 141
_journal_page_last 142
_publ_section_title
;
 Die kristallstrukturen von yttrium-vanadat, lutetium-phosphat und lutetium-arsenat
 Note: isostructural with Chernovite-(Y)
;
_database_code_amcsd 0009470
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Lu As O4'
_cell_length_a 6.949
_cell_length_b 6.949
_cell_length_c 6.227
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 300.693
_exptl_crystal_density_diffrn      6.934
_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
Lu1   0.00000   0.75000   0.12500
As1   0.00000   0.25000   0.37500
O1   0.00000   0.43330   0.19890
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
Lu1 0.00301 0.00301 0.00253 0.00000 0.00000 0.00000
As1 0.00267 0.00267 0.00202 0.00000 0.00000 0.00000
O1 0.01079 0.00497 0.00648 0.00000 0.00000 -0.00171