Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds of the CaCr2Al10 and ThMn12 structure types
Fulfer, Bradford W.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.; Journal of Solid State Chemistry 194 (2012) 143–150; doi:10.1016/j.jssc.2012.05.002

data_1562929
_publ_section_title
;
 Crystal growth and magnetic properties of Ln-Mn-Al (Ln=Gd, Yb) compounds
 of the CaCr2Al10 and ThMn12 structure types
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              143
_journal_page_last               150
_journal_paper_doi               10.1016/j.jssc.2012.05.002
_journal_volume                  194
_journal_year                    2012
_chemical_formula_sum            'Al9.1 Mn2.9 Yb'
_chemical_formula_weight         577.89
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9400(9)
_cell_length_b                   8.9400(9)
_cell_length_c                   5.1020(9)
_cell_measurement_temperature    293(2)
_cell_volume                     407.77(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 'ACTA 50'
_diffrn_measured_fraction_theta_max 0.954
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            382
_diffrn_reflns_theta_full        'ACTA 50'
_diffrn_reflns_theta_max         32.23
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    16.784
_exptl_absorpt_correction_T_max  0.715
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    4.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.310
_refine_diff_density_min         -2.211
_refine_diff_density_rms         0.357
_refine_ls_extinction_coef       0.0016(4)
_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   1.066
_refine_ls_hydrogen_treatment    .
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0337
_refine_ls_wR_factor_ref         0.0360
_reflns_number_gt                195
_reflns_number_total             229
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            JSSC-2012-194-143.cif
_cod_data_source_block           bwf13
_cod_original_formula_sum        'Al9.10 Mn2.90 Yb'
_cod_database_code               1562929