data_2000488
_publ_section_title
;
Ba~15~Al~13.4~Ga~14.5~, a Disordered Structure Derived
From Sr~5~Al~9~
;
loop_
_publ_author_name
 ' Fornasini, M. L. '
 ' Pani, M. '
_chemical_formula_moiety  'Ba15 Al13.4 Ga14.5'
_chemical_formula_sum  'Ba15 Al13.4 Ga14.5'
_chemical_formula_weight  3432.4
_symmetry_cell_setting  rhombohedral
_symmetry_space_group_name_H-M  'R-3m'
_cell_length_a  6.0770(10)
_cell_length_b  6.0770(10)
_cell_length_c  36.659(6)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  120.0
_cell_volume  1172.4(3)
_cell_formula_units_z  1
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  25
_cell_measurement_theta_max  28
_cell_measurement_temperature  293
_exptl_crystal_description  Prism
_exptl_crystal_colour  'Crystal colour?'
_exptl_crystal_size_max   .14
_exptl_crystal_size_mid   .10
_exptl_crystal_size_min   .07
_exptl_crystal_density_diffrn  4.86
_exptl_absorpt_coefficient_mu  21.6
_exptl_absorpt_correction_type  'empirical and sphere'
_exptl_absorpt_correction_T_min   .47
_exptl_absorpt_correction_T_max  1.0
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength   .7107
_diffrn_measurement_device  'Enraf-Nonius CAD-4'
_diffrn_measurement_method  \w
_diffrn_reflns_number  2491
_diffrn_reflns_av_R_equivalents   .040
_diffrn_reflns_theta_max  30
_diffrn_reflns_limit_h_min  -8
_diffrn_reflns_limit_h_max  8
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  8
_diffrn_reflns_limit_l_min  -51
_diffrn_reflns_limit_l_max  51
_diffrn_standards_number  1
_diffrn_standards_interval_time  60
_diffrn_standards_decay_%  0
_reflns_number_total  490
_reflns_number_observed  449
_reflns_observed_criterion  'F>3\s(F)'
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs   .053
_refine_ls_wR_factor_obs   .081
_refine_ls_goodness_of_fit_obs  5.8
_refine_ls_number_reflns  449
_refine_ls_number_parameters  25
_refine_ls_weighting_scheme  '1/[\s^2^(F)+0.00063F^2^]'
_refine_ls_shift/esd_max   .003
_refine_diff_density_max  3.4
_refine_diff_density_min  -4.0
_atom_type_scat_source
;
International Tables for X-ray Crystallography (1974, Vol. IV. Tables 2.2B
and 2.3.1)
;
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
 Ba1 .0000 .0000 .21480(10)
        .0131(4) 1.0
 Ba2 .0000 .0000 .31650(10)
        .0134(4) 1.0
 Ba3 .0000 .0000 .5000 .0220(5) 1.0
 Ga1 .0000 .0000 .12180(10)
        .0205(6) 1.0
 Ga2 .0000 .0000 .0338(3) .023(3) .310(10)
 Al1 .0000 .0000 .0000 .037(5) .690(10)
 X .1960(4) .8040(4) .07210(10)
         .0450(10)
           1.0