data_9002387
_chemical_name 'TAPP-tetragonal Mg1.76Fe3.37Y0.68Ge2.08O12'
loop_
_publ_author_name
'Levy D'
'Barbier J'
_journal_name_full "American Mineralogist"
_journal_volume 85
_journal_year 2000
_journal_page_first 1053
_journal_page_last 1060
_publ_section_title
;
 (Mg,Fe).85(Mg,Fe)4(Fe,Ge)3O12: A new tetragonal phase with its comparison
 with garnet
;
_chemical_formula_sum 'Ge2.076 Fe3.37 Y.684 Mg1.766 O12'
_cell_length_a 6.8290
_cell_length_b 6.8290
_cell_length_c 18.994
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 885.790
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ge1   0.50000   0.50000   0.00000   1.00000   0.01180
Ge2  -0.16540   0.25000   0.12500   0.53800   0.01510
Fe2  -0.16540   0.25000   0.12500   0.46200   0.01510
Y1   0.00000   0.00000   0.00000   0.68400   0.01250
Mg1   0.00000   0.00000   0.00000   0.21200   0.01250
Fe2   0.25590   0.25000   0.12500   0.73800   0.01310
Mg2   0.25590   0.25000   0.12500   0.26200   0.01310
Fe3   0.00000   0.50000  -0.02037   0.48500   0.01070
Mg3   0.00000   0.50000  -0.02037   0.51500   0.01070
O1   0.01160   0.28960   0.05550   1.00000   0.01490
O2  -0.26150   0.02460   0.09360   1.00000   0.02010
O3   0.45770   0.28630   0.04800   1.00000   0.02200