data_global
_amcsd_formula_title 'TAPP-tetragonal Mg2.12Fe3.17Ge2.56O12'
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
;
_database_code_amcsd 0002469
_chemical_formula_sum 'Ge2.56 Fe3.21 Mg2.08 O12'
_cell_length_a 6.8153
_cell_length_b 6.8153
_cell_length_c 18.6690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 867.144
_exptl_crystal_density_diffrn      4.655
_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
Ge1   0.50000   0.50000   0.00000   1.00000   0.00990
Ge2  -0.16216   0.25000   0.12500   0.78000   0.01100
Fe2  -0.16216   0.25000   0.12500   0.22000   0.01100
Mg1   0.00000   0.00000   0.00000   0.52000   0.01910
Fe1   0.00000   0.00000   0.00000   0.33000   0.01910
Mg2   0.25640   0.25000   0.12500   0.22000   0.01000
Fe2   0.25640   0.25000   0.12500   0.78000   0.01000
Mg3   0.00000   0.50000  -0.02186   0.56000   0.00870
Fe3   0.00000   0.50000  -0.02186   0.44000   0.00870
O1   0.01370   0.28150   0.05400   1.00000   0.01320
O2  -0.27080   0.02850   0.09830   1.00000   0.01790
O3   0.45000   0.28360   0.04640   1.00000   0.01630
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
Ge1 0.00860 0.00860 0.01230 0.00000 0.00000 0.00000
Ge2 0.01470 0.00750 0.01060 0.00000 0.00000 -0.00030
Fe2 0.01470 0.00750 0.01060 0.00000 0.00000 -0.00030
Mg1 0.01140 0.01140 0.03440 0.00000 0.00000 0.00000
Fe1 0.01140 0.01140 0.03440 0.00000 0.00000 0.00000
Mg2 0.01240 0.00720 0.01030 0.00000 0.00000 -0.00160
Fe2 0.01240 0.00720 0.00720 0.00000 0.00000 -0.00160
Mg3 0.00670 0.00910 0.01030 0.00000 0.00000 0.00000
Fe3 0.00670 0.00910 0.01030 0.00000 0.00000 0.00000
O1 0.01240 0.01560 0.01140 -0.00070 0.00180 0.00110
O2 0.01820 0.01370 0.02180 -0.00380 -0.00750 0.00490
O3 0.02500 0.00800 0.01560 0.00090 0.00530 0.00050