data_9002386
_chemical_name 'TAPP-tetragonal Mg1.95Ca.33Fe3.13Ge2.52O12'
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 'Ge2.52 Fe3.14 Ca.33 Mg1.93 O12'
_cell_length_a 6.8217
_cell_length_b 6.8217
_cell_length_c 18.7818
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 874.022
_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   0.00970
Ge2  -0.16313  -0.25000   0.12500   0.76000   0.01110
Fe2  -0.16313  -0.25000   0.12500   0.24000   0.01110
Ca1   0.00000   0.00000   0.00000   0.33000   0.01430
Mg1   0.00000   0.00000   0.00000   0.41000   0.01430
Fe1   0.00000   0.00000   0.00000   0.18000   0.01430
Mg2   0.25705  -0.25000   0.12500   0.24000   0.01030
Fe2   0.25705  -0.25000   0.12500   0.76000   0.01030
Mg3   0.00000   0.50000  -0.02129   0.52000   0.00880
Fe3   0.00000   0.50000  -0.02129   0.48000   0.00880
O1   0.01380  -0.28700   0.05521   1.00000   0.01530
O2  -0.26900  -0.02880   0.09650   1.00000   0.01730
O3   0.45000  -0.28460   0.04640   1.00000   0.01590