Investigation of the phase relations in the U-Al-Ge ternary system: Influence of the Al/Ge substitution on the properties of the intermediate phases
Moussa, C.; El Sayah, Z.; Chajewski, G.; Berche, A.; Dorcet, V.; Pikul, A.P.; Pasturel, M.; Joanny, L.; Stepnik, B.; Tougait, O.; Journal of Solid State Chemistry 243 (2016) 168–178; doi:10.1016/j.jssc.2016.08.008

data_1561351
_publ_section_title
;
 Investigation of the phase relations in the U-Al-Ge ternary system:
 Influence of the Al/Ge substitution on the properties of the intermediate
 phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              168
_journal_page_last               178
_journal_paper_doi               10.1016/j.jssc.2016.08.008
_journal_volume                  243
_journal_year                    2016
_chemical_formula_sum            'Al0.5 Ge2 U1.5'
_chemical_formula_weight         515.71
_space_group_crystal_system      tetragonal
_space_group_IT_number           108
_space_group_name_Hall           'I 4 -2c'
_space_group_name_H-M_alt        'I 4 c m'
_atom_sites_solution_hydrogens   .
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.762
_cell_length_b                   7.762
_cell_length_c                   11.092
_cell_measurement_temperature    293(2)
_cell_volume                     668.278
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0802
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4402
_diffrn_reflns_point_group_measured_fraction_full 0.532
_diffrn_reflns_point_group_measured_fraction_max 0.520
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         41.999
_diffrn_reflns_theta_min         3.674
_exptl_absorpt_coefficient_mu    90.162
_exptl_crystal_density_diffrn    10.251
_exptl_crystal_F_000             1668
_refine_diff_density_max         2.812
_refine_diff_density_min         -2.414
_refine_diff_density_rms         0.583
_refine_ls_abs_structure_details
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_extinction_coef       0.00204(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_reflns         658
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0121P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0424
_refine_ls_wR_factor_ref         0.0449
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.000
_reflns_Friedel_fraction_max     0.000
_reflns_number_gt                524
_reflns_number_total             658
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            U3Al1Ge4_I4cm.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        668.3
_cod_original_formula_sum        'Al0.50 Ge2 U1.50'
_cod_database_code               1561351
_shelxl_version_number           2014-3
_shelx_res_checksum              43726
_shelx_hkl_checksum              92918