data_global
_chemical_name_mineral 'Mackayite'
loop_
_publ_author_name
'Pertlik F'
'Gieren A'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1977 
_journal_year 1977
_journal_page_first 145
_journal_page_last 154
_publ_section_title
;
 Verfeinerung der kristallstruktur von mackayite Fe(OH)[Te2O5]
;
_database_code_amcsd 0014758
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe Te2 O6 H'
_cell_length_a 11.80
_cell_length_b 11.80
_cell_length_c 15.10
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2102.524
_exptl_crystal_density_diffrn      5.156
_symmetry_space_group_name_H-M 'I 41/a c 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,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-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,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-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,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-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,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-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
Fe   0.00000   0.25000   0.23036
Te   0.29844   0.34749   0.11144
O1   0.26084   0.51084   0.12500
O2   0.38237   0.37791   0.00531
O3   0.38768   0.17442   0.06165
O-H   0.42941   0.67941   0.12500
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
Fe 0.00836 0.00861 0.01760 -0.00089 0.00000 0.00000
Te 0.01342 0.01507 0.02824 -0.00025 -0.00013 0.00051
O1 0.01495 0.01495 0.02609 0.00380 0.00418 -0.00418
O2 0.01558 0.00976 0.02622 0.00190 0.01090 0.00177
O3 0.01242 0.00570 0.04166 0.00076 -0.00025 0.00190
O-H 0.01368 0.01368 0.01317 -0.00355 0.00126 -0.00126