(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_1563774
_publ_section_title
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 (Ca/Sr)AuxCd1&#x2212;x: Stacking variants of the CrB--FeB series
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_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            'Au1.05 Cd0.28 Sr1.33'
_chemical_formula_weight         355.49
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   32.433(8)
_cell_length_b                   4.7417(8)
_cell_length_c                   6.2620(9)
_cell_measurement_temperature    293(2)
_cell_volume                     963.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_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  0.1507
_diffrn_reflns_av_sigmaI/netI    0.1219
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6657
_diffrn_reflns_theta_full        29.25
_diffrn_reflns_theta_max         29.25
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    71.516
_exptl_crystal_density_diffrn    7.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1767
_refine_diff_density_max         3.408
_refine_diff_density_min         -2.928
_refine_diff_density_rms         0.654
_refine_ls_extinction_coef       0.00007(8)
_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   0.875
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.875
_refine_ls_R_factor_all          0.1825
_refine_ls_R_factor_gt           0.0682
_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^)+(0.0969P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1904
_refine_ls_wR_factor_ref         0.2234
_reflns_number_gt                459
_reflns_number_total             1359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-157.cif
_cod_data_source_block           SrAu1
_cod_database_code               1563774