#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/30/2003067.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_2003067
loop_
_publ_author_name
'Nakatsuka, A.'
'Yoshiasa, A.'
'Yamanaka, T.'
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              266
_journal_page_last               272
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         ?
_chemical_formula_sum            'Al4 Ga O12 Y3'
_chemical_formula_weight         636.351
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2ab 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                   12.0432(7)
_cell_length_b                   12.0432(7)
_cell_length_c                   12.0432(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      22.5
_cell_volume                     1746.7(3)
_diffrn_measurement_device       'Rigaku AFC-6'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            3309
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    24.09
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    4.84
_exptl_crystal_density_meas      ?
_exptl_crystal_description       sphere
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          0.055
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     ?
_refine_ls_goodness_of_fit_obs   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_number_parameters     ?
_refine_ls_number_reflns         124
_refine_ls_R_factor_obs          0.022
_refine_ls_shift/esd_max         ?
_refine_ls_structure_factor_coef ?
_refine_ls_weighting_scheme      1/\s^2^(F~o~)
_refine_ls_wR_factor_obs         0.016
_reflns_number_observed          124
_reflns_number_total             ?
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_[local]_cod_chemical_formula_sum_orig 'Al4 Ga1 O12 Y3'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'spherical' was replaced
with 'sphere' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2003067
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 0.125 0.0 0.25 1.0
Al1 0.0 0.0 0.0 0.927
Ga1 0.0 0.0 0.0 0.073(8)
Al2 0.375 0.0 0.25 0.716
Ga2 0.375 0.0 0.25 0.284
O -0.0293(4) 0.0497(4) 0.1498(4) 1.0