data_2009001
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1611
_journal_page_last  1614
_publ_section_title
;
Normal and inverse garnets: Ca~3~Fe~2~Ge~3~O~12~,
Ca~3~Y~2~Ge~3~O~12~ and Mg~3~Y~2~Ge~3~O~12~.
;
loop_
_publ_author_name
  "David L\'evy"
  'Jacques Barbier'
_chemical_name_common  Garnet
_chemical_formula_moiety  'Ca3 Y2 Ge3 O12'
_chemical_formula_sum  'Ca3 Ge3 O12 Y2'
_chemical_formula_weight  707.83
_symmetry_cell_setting  cubic
_symmetry_space_group_name_H-M  'I a -3 d'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
  'z, x, y'
  'z+1/2, -x+1/2, -y'
  '-z+1/2, -x, y+1/2'
  '-z, x+1/2, -y+1/2'
  'y, z, x'
  '-y, z+1/2, -x+1/2'
  'y+1/2, -z+1/2, -x'
  '-y+1/2, -z, x+1/2'
  'y+3/4, x+1/4, -z+1/4'
  '-y+3/4, -x+3/4, -z+3/4'
  'y+1/4, -x+1/4, z+3/4'
  '-y+1/4, x+3/4, z+1/4'
  'x+3/4, z+1/4, -y+1/4'
  '-x+1/4, z+3/4, y+1/4'
  '-x+3/4, -z+3/4, -y+3/4'
  'x+1/4, -z+1/4, y+3/4'
  'z+3/4, y+1/4, -x+1/4'
  'z+1/4, -y+1/4, x+3/4'
  '-z+1/4, y+3/4, x+1/4'
  '-z+3/4, -y+3/4, -x+3/4'
  'x+1/2, y+1/2, z+1/2'
  '-x+1, -y+1/2, z+1'
  '-x+1/2, y+1, -z+1'
  'x+1, -y+1, -z+1/2'
  'z+1/2, x+1/2, y+1/2'
  'z+1, -x+1, -y+1/2'
  '-z+1, -x+1/2, y+1'
  '-z+1/2, x+1, -y+1'
  'y+1/2, z+1/2, x+1/2'
  '-y+1/2, z+1, -x+1'
  'y+1, -z+1, -x+1/2'
  '-y+1, -z+1/2, x+1'
  'y+5/4, x+3/4, -z+3/4'
  '-y+5/4, -x+5/4, -z+5/4'
  'y+3/4, -x+3/4, z+5/4'
  '-y+3/4, x+5/4, z+3/4'
  'x+5/4, z+3/4, -y+3/4'
  '-x+3/4, z+5/4, y+3/4'
  '-x+5/4, -z+5/4, -y+5/4'
  'x+3/4, -z+3/4, y+5/4'
  'z+5/4, y+3/4, -x+3/4'
  'z+3/4, -y+3/4, x+5/4'
  '-z+3/4, y+5/4, x+3/4'
  '-z+5/4, -y+5/4, -x+5/4'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z-1/2'
  '-x-1/2, y-1/2, z'
  '-z, -x, -y'
  '-z-1/2, x-1/2, y'
  'z-1/2, x, -y-1/2'
  'z, -x-1/2, y-1/2'
  '-y, -z, -x'
  'y, -z-1/2, x-1/2'
  '-y-1/2, z-1/2, x'
  'y-1/2, z, -x-1/2'
  '-y-3/4, -x-1/4, z-1/4'
  'y-3/4, x-3/4, z-3/4'
  '-y-1/4, x-1/4, -z-3/4'
  'y-1/4, -x-3/4, -z-1/4'
  '-x-3/4, -z-1/4, y-1/4'
  'x-1/4, -z-3/4, -y-1/4'
  'x-3/4, z-3/4, y-3/4'
  '-x-1/4, z-1/4, -y-3/4'
  '-z-3/4, -y-1/4, x-1/4'
  '-z-1/4, y-1/4, -x-3/4'
  'z-1/4, -y-3/4, -x-1/4'
  'z-3/4, y-3/4, x-3/4'
  '-x+1/2, -y+1/2, -z+1/2'
  'x, y+1/2, -z'
  'x+1/2, -y, z'
  '-x, y, z+1/2'
  '-z+1/2, -x+1/2, -y+1/2'
  '-z, x, y+1/2'
  'z, x+1/2, -y'
  'z+1/2, -x, y'
  '-y+1/2, -z+1/2, -x+1/2'
  'y+1/2, -z, x'
  '-y, z, x+1/2'
  'y, z+1/2, -x'
  '-y-1/4, -x+1/4, z+1/4'
  'y-1/4, x-1/4, z-1/4'
  '-y+1/4, x+1/4, -z-1/4'
  'y+1/4, -x-1/4, -z+1/4'
  '-x-1/4, -z+1/4, y+1/4'
  'x+1/4, -z-1/4, -y+1/4'
  'x-1/4, z-1/4, y-1/4'
  '-x+1/4, z+1/4, -y-1/4'
  '-z-1/4, -y+1/4, x+1/4'
  '-z+1/4, y+1/4, -x-1/4'
  'z+1/4, -y-1/4, -x+1/4'
  'z-1/4, y-1/4, x-1/4'
_cell_length_a  12.8059(8)
_cell_length_b  12.8059(8)
_cell_length_c  12.8059(8)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  2100.1(2)
_cell_formula_units_Z  8
_cell_measurement_temperature  299(2)
_exptl_crystal_density_diffrn  4.478
_diffrn_ambient_temperature  299(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  O  -.0363(2) 0.1567(3) 0.1609(3)  .0073(8) Uani d . 1 . . O
  Y 0 0 0  .0075(4) Uani d S 1 . . Y
  Ge 0 1/4 3/8  .0049(4) Uani d S 1 . . Ge
  Ca 0 1/4 1/8  .0063(5) Uani d S 1 . . Ca
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
  O  .0066(17)  .0081(17)  .0072(17)  -.0011(13)  .0011(14)  -.0013(13)
  Y  .0075(4)  .0075(4)  .0075(4)  .0003(2)  -.0003(2)  .0003(2)
  Ge  .0053(4)  .0053(4)  .0042(6) 0 0 0
  Ca  .0076(6)  .0076(6)  .0038(9) 0 0  .0018(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O Ge . 1.766(3) NO
  O Y 40_544 2.233(3) NO
  O Ca . 2.469(3) NO
  O Ca 9 2.561(3) NO
  Y O 63_657 2.233(3) n
  Y O 39_454 2.233(3) n
  Y O 68_657 2.233(3) n
  Y O 44_454 2.233(3) n
  Y O 70_657 2.233(3) n
  Y O 46_454 2.233(3) n
  Y Ca 82_465 3.5794(2) no
  Y Ca 10_646 3.5794(2) NO
  Y Ca 26_554 3.5794(2) NO
  Y Ca 29_445 3.5794(2) NO
  Y Ca 53_666 3.5794(2) NO
  Y Ca 50_557 3.5794(2) NO
  Ge O 68_657 1.766(3) n
  Ge O 89_665 1.766(3) n
  Ge O 28_456 1.766(3) n
  Ge Ca 50_557 3.2015(2) NO
  Ge Ca . 3.2015(2) NO
  Ca O 43 2.469(3) n
  Ca O 18_645 2.469(3) n
  Ca O 28_456 2.469(3) n
  Ca O 5 2.561(3) n
  Ca O 23_645 2.561(3) n
  Ca O 30_456 2.561(3) n
  Ca O 48 2.561(3) n
  Ca Ge 50_657 3.2015(2) NO
  Ca Y 40_544 3.5794(2) NO
  Ca Y 3_656 3.5794(2) NO