A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~, solved by rotation electron diffraction
Singh, Devinder; Yun, Yifeng; Wan, Wei; Grushko, Benjamin; Zou, Xiaodong; Hovmöller, Sven; Journal of Applied Crystallography 47 (2014) 215–221; doi:10.1107/S1600576713029294

data_2300446
_publ_section_title
;
 A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~,
 solved by rotation electron diffraction
;
_journal_coeditor_code           he5621
_journal_issue                   1
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              215
_journal_page_last               221
_journal_paper_doi               10.1107/S1600576713029294
_journal_volume                  47
_journal_year                    2014
_chemical_formula_sum            'Al18.5 Co7.75 Ni0'
_chemical_formula_weight         956.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_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            8
_cell_length_a                   23.2010(3)
_cell_length_b                   32.3100(3)
_cell_length_c                   4.1030(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3075.7(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.893
_diffrn_measured_fraction_theta_max 0.893
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.02508
_diffrn_reflns_av_R_equivalents  0.3319
_diffrn_reflns_av_sigmaI/netI    0.1396
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -4
_diffrn_reflns_number            8073
_diffrn_reflns_theta_full        0.73
_diffrn_reflns_theta_max         0.73
_diffrn_reflns_theta_min         0.06
_exptl_absorpt_coefficient_mu    0.000
_exptl_crystal_density_diffrn    4.132
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5282
_refine_diff_density_max         1.982
_refine_diff_density_min         -2.564
_refine_diff_density_rms         0.483
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.155
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         1799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      4.155
_refine_ls_R_factor_all          0.4326
_refine_ls_R_factor_gt           0.4285
_refine_ls_shift/su_max          0.435
_refine_ls_shift/su_mean         0.080
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.6988
_refine_ls_wR_factor_ref         0.7023
_reflns_number_gt                1738
_reflns_number_total             1799
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            he5621sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'Al18.50 Co7.75 Ni0'
_cod_database_code               2300446