Flux Growth of Yb6.6Ir6Sn16 Having Mixed-Valent Ytterbium.
Peter, Sebastian C.; Subbarao, Udumula; Rayaprol, Sudhindra; Martin, Joshua B.; Balasubramanian, Mahalingam; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Inorganic chemistry 53 (2014) 6615–6623; doi:10.1021/ic500204t

data_4338825
_publ_section_title
;
 Flux Growth of Yb6.6Ir6Sn16 Having Mixed-Valent Ytterbium.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6615
_journal_page_last               6623
_journal_paper_doi               10.1021/ic500204t
_journal_volume                  53
_journal_year                    2014
_chemical_formula_analytical     'Ir6 Sn16 Yb6.572'
_chemical_formula_moiety         'Ir6 Sn16 Yb6.572'
_chemical_formula_structural     'Ir6 Sn16 Yb6.572'
_chemical_formula_sum            'Ir6 Sn16 Yb6.572'
_chemical_formula_weight         4194.1
_chemical_name_systematic        ' ?'
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_audit_creation_method           'Jana2006 Version : 10/04/2014'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7105(7)
_cell_length_b                   9.7105(7)
_cell_length_c                   13.7183(11)
_cell_measurement_reflns_used    13148
_cell_measurement_temperature    100
_cell_volume                     1293.55(17)
_diffrn_ambient_temperature      100
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_details      ' 180 frames, detector distance = 100 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0073
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9584
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_diffrn_reflns_theta_min         2.57
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.00
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    69.379
_exptl_absorpt_correction_T_max  0.1179
_exptl_absorpt_correction_T_min  0.0366
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   X-Shape2
_exptl_crystal_density_diffrn    10.7644
_exptl_crystal_F_000             3444
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.061
_exptl_crystal_size_min          0.046
_refine_diff_density_max         4.35
_refine_diff_density_min         -3.62
_refine_ls_extinction_coef       2200(300)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    3.11
_refine_ls_goodness_of_fit_ref   3.11
_refine_ls_number_constraints    0
_refine_ls_number_parameters     47
_refine_ls_number_reflns         949
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.0439
_refine_ls_shift/su_mean         0.0039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                897
_reflns_number_total             949
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic500204t_si_001.cif
_cod_data_source_block           Yb6.572Ir6Sn16
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338825.cif.
;
_cod_original_sg_symbol_Hall     '-P 4ac;-2a'
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               4338825