#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003070.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2003070
loop_
_publ_author_name
'Nakatsuka, Akihiko'
'Yoshiasa, Akira'
'Yamanaka, Takamitsu'
_publ_section_title
;
 Cation distribution and crystal chemistry of
 Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {\/leq} <i>x</i> {\/leq} 5)
 garnet solid solutions
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              266
_journal_page_last               272
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Al Ga4 O12 Y3'
_chemical_formula_weight         764.565
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   12.2123(8)
_cell_length_b                   12.2123(8)
_cell_length_c                   12.2123(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      22.5
_cell_volume                     1821.3(2)
_diffrn_measurement_device       'Rigaku AFC-6'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .010
_diffrn_reflns_number            3074
_diffrn_reflns_theta_max         60
_exptl_absorpt_coefficient_mu    31.97
_exptl_absorpt_correction_type   spherical
_exptl_crystal_density_diffrn    5.58
_exptl_crystal_description       sphere
_exptl_crystal_F_000             2800
_exptl_crystal_size_rad          .073
_refine_ls_number_reflns         159
_refine_ls_R_factor_obs          .014
_refine_ls_weighting_scheme      1/\s^2^(F~o~)
_refine_ls_wR_factor_obs         .009
_reflns_number_observed          159
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_[local]_cod_data_source_file    oh0057.cif
_[local]_cod_data_source_block   x=4
_[local]_cod_cif_authors_sg_Hall '-I 4bd 2ab 3'
_[local]_cod_chemical_formula_sum_orig 'Al1 Ga4 O12 Y3'
_cod_original_cell_volume        1821.3(4)
_cod_database_code               2003070
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,y,1/2-z
x,1/2-y,1/2+z
1/2-x,1/2+y,z
-z,-x,-y
1/2-z,1/2+x,y
1/2+z,x,1/2-y
z,1/2-x,1/2+y
-y,-z,-x
y,1/2-z,1/2+x
1/2-y,1/2+z,x
1/2+y,z,1/2-x
1/4-y,3/4-x,3/4+z
1/4+y,1/4+x,1/4+z
3/4-y,3/4+x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-x,3/4-z,3/4+y
3/4+x,1/4-z,3/4-y
1/4+x,1/4+z,1/4+y
3/4-x,3/4+z,1/4-y
1/4-z,3/4-y,3/4+x
3/4-z,3/4+y,1/4-x
3/4+z,1/4-y,3/4-x
1/4+z,1/4+y,1/4+x
-x,-y,-z
1/2-x,-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
z,x,y
1/2+z,1/2-x,-y
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
y,z,x
-y,1/2+z,1/2-x
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
3/4+y,1/4+x,1/4-z
3/4-y,3/4-x,3/4-z
1/4+y,1/4-x,3/4+z
1/4-y,3/4+x,1/4+z
3/4+x,1/4+z,1/4-y
1/4-x,3/4+z,1/4+y
3/4-x,3/4-z,3/4-y
1/4+x,1/4-z,3/4+y
3/4+z,1/4+y,1/4-x
1/4+z,1/4-y,3/4+x
1/4-z,3/4+y,1/4+x
3/4-z,3/4-y,3/4-x
1/2+x,1/2+y,1/2+z
x,1/2+y,-z
1/2+x,-y,z
-x,y,1/2+z
1/2-z,1/2-x,1/2-y
-z,x,1/2+y
z,1/2+x,-y
1/2+z,-x,y
1/2-y,1/2-z,1/2-x
1/2+y,-z,x
-y,z,1/2+x
y,1/2+z,-x
3/4-y,1/4-x,1/4+z
3/4+y,3/4+x,3/4+z
1/4-y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4-x,1/4-z,1/4+y
1/4+x,3/4-z,1/4-y
3/4+x,3/4+z,3/4+y
1/4-x,1/4+z,3/4-y
3/4-z,1/4-y,1/4+x
1/4-z,1/4+y,3/4-x
1/4+z,3/4-y,1/4-x
3/4+z,3/4+y,3/4+x
1/2-x,1/2-y,1/2-z
-x,1/2-y,z
1/2-x,y,-z
x,-y,1/2-z
1/2+z,1/2+x,1/2+y
z,-x,1/2-y
-z,1/2-x,y
1/2-z,x,-y
1/2+y,1/2+z,1/2+x
1/2-y,z,-x
y,-z,1/2-x
-y,1/2-z,x
1/4+y,3/4+x,3/4-z
1/4-y,1/4-x,1/4-z
3/4+y,3/4-x,1/4+z
3/4-y,1/4+x,3/4+z
1/4+x,3/4+z,3/4-y
3/4-x,1/4+z,3/4+y
1/4-x,1/4-z,1/4-y
3/4+x,3/4-z,1/4+y
1/4+z,3/4+y,3/4-x
3/4+z,3/4-y,1/4+x
3/4-z,1/4+y,3/4+x
1/4-z,1/4-y,1/4-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y .125 .0 .25 1.0
Al1 .0 .0 .0 .354
Ga1 .0 .0 .0 .646(5)
Al2 .375 .0 .25 .097
Ga2 .375 .0 .25 .903
O -.0279(3) .0540(2) .1498(3) 1.0