data_global
_chemical_name_mineral 'Andradite'
loop_
_publ_author_name
'Galuskina I O'
'Galuskin E V'
'Dzierzanowski P'
'Armbruster T'
'Kozanecki M'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1688
_journal_page_last 1692
_publ_section_title
;
 A natural scandian garnet
;
_database_code_amcsd 0003948
_chemical_formula_sum 'Ca2.97 Mg.124 Fe1.025 Zr.584 Ti.654 Sc.154 Cr.152 Hf.008 V.004 Si1.899 Al.42 O12'
_cell_length_a 12.331
_cell_length_b 12.331
_cell_length_c 12.331
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1874.973
_exptl_crystal_density_diffrn      3.805
_symmetry_space_group_name_H-M 'I a -3 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'z,1/2-x,1/2+y'
  '1/2+z,-x,+y'
  '-y,1/2+z,1/2-x'
  '1/2-y,+z,-x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-z,1/2+x,1/2-y'
  '1/2-z,+x,-y'
  'y,1/2-z,1/2+x'
  '1/2+y,-z,+x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  '3/4+x,1/4-z,3/4-y'
  '1/4+x,3/4-z,1/4-y'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,1/4+x'
  '3/4+y,1/4-x,3/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,1/4+y'
  '3/4+z,1/4-y,3/4-x'
  '1/4+z,3/4-y,1/4-x'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,1/4+z'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,3/4+z,3/4+y'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,3/4-x'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,3/4-y'
  '1/4+z,1/4+y,1/4+x'
  '3/4+z,3/4+y,3/4+x'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2-y,-z,1/2+x'
  '-y,1/2-z,+x'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2+y,z,1/2-x'
  '+y,1/2+z,-x'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/2-z,1/2+x,y'
  '-z,+x,1/2+y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2-x,1/2+y,z'
  '-x,+y,1/2+z'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '3/4-x,3/4+z,1/4-y'
  '1/4-x,1/4+z,3/4-y'
  '3/4+z,3/4-y,1/4+x'
  '1/4+z,1/4-y,3/4+x'
  '3/4-y,3/4+x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4+x,3/4-z,1/4+y'
  '1/4+x,1/4-z,3/4+y'
  '3/4-z,3/4+y,1/4-x'
  '1/4-z,1/4+y,3/4-x'
  '3/4+y,3/4-x,1/4+z'
  '1/4+y,1/4-x,3/4+z'
  '1/4-x,3/4-z,3/4+y'
  '3/4-x,1/4-z,1/4+y'
  '1/4+z,3/4+y,3/4-x'
  '3/4+z,1/4+y,1/4-x'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+x,3/4+z,3/4-y'
  '3/4+x,1/4+z,1/4-y'
  '1/4-z,3/4-y,3/4+x'
  '3/4-z,1/4-y,1/4+x'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
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
CaA   0.87500   0.00000   0.75000   0.99000   0.01740
MgA   0.87500   0.00000   0.75000   0.01000   0.01740
Fe3+B   0.00000   0.00000   0.00000   0.33200   0.01190
ZrB   0.00000   0.00000   0.00000   0.29200   0.01190
Ti4+B   0.00000   0.00000   0.00000   0.14700   0.01190
ScB   0.00000   0.00000   0.00000   0.07700   0.01190
CrB   0.00000   0.00000   0.00000   0.07600   0.01190
MgB   0.00000   0.00000   0.00000   0.04700   0.01190
Fe2+B   0.00000   0.00000   0.00000   0.02000   0.01190
HfB   0.00000   0.00000   0.00000   0.00400   0.01190
VB   0.00000   0.00000   0.00000   0.00200   0.01190
SiT   0.12500   0.00000   0.75000   0.63300   0.01000
AlT   0.12500   0.00000   0.75000   0.14000   0.01000
Ti4+T   0.12500   0.00000   0.75000   0.12000   0.01000
Fe3+T   0.12500   0.00000   0.75000   0.10700   0.01000
O   0.03660   0.04930   0.65390   1.00000   0.01940
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
CaA 0.01310 0.01950 0.01950 0.00000 0.00000 0.00470
MgA 0.01310 0.01950 0.01950 0.00000 0.00000 0.00470
Fe3+B 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
ZrB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
Ti4+B 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
ScB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
CrB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
MgB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
Fe2+B 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
HfB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
VB 0.01190 0.01190 0.01190 0.00060 0.00060 0.00060
SiT 0.00690 0.01150 0.01150 0.00000 0.00000 0.00000
AlT 0.00690 0.01150 0.01150 0.00000 0.00000 0.00000
Ti4+T 0.00690 0.01150 0.01150 0.00000 0.00000 0.00000
Fe3+T 0.00690 0.01150 0.01150 0.00000 0.00000 0.00000
O 0.02100 0.01320 0.02410 -0.00270 0.00570 -0.00150