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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2009002.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2009002
_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  'Mg3 Y2 Ge3 O12'
_chemical_formula_sum  'Ge3 Mg3 O12 Y2'
_chemical_formula_weight  660.52
_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  12.2489(12)
_cell_length_b  12.2489(12)
_cell_length_c  12.2489(12)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1837.8(3)
_cell_formula_units_Z  8
_cell_measurement_temperature  299(2)
_exptl_crystal_density_diffrn  4.775
_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
  Y 0 1/4 1/8  .00755(19) Uani d SP  .67 . . Y
  Mg1 0 1/4 1/8  .00755(19) Uani d SP  .33 . . Mg
  Mg2 0 0 0  .0084(4) Uani d S 1 . . Mg
  Ge 0 1/4 3/8  .00778(19) Uani d S 1 . . Ge
  O  -.03093(19) 0.05582(19) 0.15607(18)  .0094(4) Uani d . 1 . . O
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
  Y  .0085(2)  .0085(2)  .0056(3)  .0019(3) 0 0
  Mg1  .0085(2)  .0085(2)  .0056(3)  .0019(3) 0 0
  Mg2  .0084(4)  .0084(4)  .0084(4)  -.0008(6)  -.0008(6)  -.0008(6)
  Ge  .0063(2)  .0063(2)  .0107(3) 0 0 0
  O  .0115(10)  .0106(10)  .0061(9)  -.0017(8)  .0009(8)  -.0002(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
  Y O 48_444 2.332(2) n
  Y O 9 2.332(2) n
  Y O 21_455 2.332(2) n
  Y O 36_454 2.332(2) n
  Y O 13_455 2.438(2) n
  Y O 26_454 2.438(2) n
  Y O . 2.438(2) n
  Y O 38_444 2.438(2) n
  Y Ge . 3.0622(3) NO
  Y Ge 51_565 3.0622(3) NO
  Y Mg2 . 3.4237(3) NO
  Y Mg2 38_444 3.4237(3) NO
  Mg2 O 57 2.065(2) n
  Mg2 O 9 2.065(2) n
  Mg2 O 53 2.065(2) n
  Mg2 O 5 2.065(2) n
  Mg2 O 49 2.065(2) n
  Mg2 O . 2.065(2) n
  Mg2 Y 9 3.4237(3) NO
  Mg2 Y 57 3.4237(3) NO
  Mg2 Mg1 49 3.4237(3) NO
  Mg2 Mg1 5 3.4237(3) NO
  Mg2 Mg1 53 3.4237(3) NO
  Ge O 58_566 1.766(2) n
  Ge O 21_455 1.766(2) n
  Ge O 48_444 1.766(2) n
  Ge O 83 1.766(2) n
  Ge Y 51_566 3.0622(3) NO
  Ge Mg1 51_566 3.0622(3) NO
  O Ge 55_556 1.766(2) NO
  O Mg1 5 2.332(2) NO
  O Y 5 2.332(2) NO