(Ca/Sr)AuxCd1−x: Stacking variants of the CrB‒FeB series
Harms, Wiebke; Dürr, Ines; Daub, Michael; Röhr, Caroline; Journal of Solid State Chemistry 183 (2010) 157–167; doi:10.1016/j.jssc.2009.10.027

data_1563775
_publ_section_title
;
 (Ca/Sr)AuxCd1&#x2212;x: Stacking variants of the CrB--FeB series
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              157
_journal_page_last               167
_journal_paper_doi               10.1016/j.jssc.2009.10.027
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Au0.93 Cd0.07 Sr'
_chemical_formula_weight         278.38
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.97(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   6.213(4)
_cell_length_b                   4.724(2)
_cell_length_c                   12.161(9)
_cell_measurement_temperature    293(2)
_cell_volume                     354.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1390
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4464
_diffrn_reflns_theta_full        26.15
_diffrn_reflns_theta_max         26.15
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    80.279
_exptl_crystal_density_diffrn    7.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_refine_diff_density_max         3.827
_refine_diff_density_min         -3.537
_refine_diff_density_rms         0.648
_refine_ls_extinction_coef       0.0015(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   1.108
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0467
_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^)+(0.0565P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                610
_reflns_number_total             790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-157.cif
_cod_data_source_block           SrAu2
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1563775