Simple Approach for Selective Crystal Growth of Intermetallic Clathrates
Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.; Chemistry of Materials 23 (2011) 1491–; doi:10.1021/cm103135k

data_4000728
_publ_section_title
;
 Simple Approach for Selective Crystal Growth of Intermetallic Clathrates
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1491
_journal_paper_doi               10.1021/cm103135k
_journal_volume                  23
_journal_year                    2011
_chemical_formula_moiety         'Si23, Na4'
_chemical_formula_sum            'Na4 Si23'
_chemical_formula_weight         738.03
_chemical_name_common            'Sodium Silicide'
_chemical_name_systematic
;
Sodium Silicide
;
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_diffrn_measurement_method       '\w scans'
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_diffrn_orient_matrix_UB_21      -0.0969777
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_diffrn_orient_matrix_UB_32      0.0964420
_diffrn_orient_matrix_UB_33      -0.0138008
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_theta_max         29.93
_diffrn_reflns_theta_min         2.82
_diffrn_source_current           30.00
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.312
_exptl_crystal_description       prism
_exptl_crystal_F_000             732
_exptl_crystal_id                'NIST/Winnie 1.SS77 type I 200K'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
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_refine_diff_density_min         -0.120
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       0.0052(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         305
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_refine_ls_R_factor_gt           0.0110
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.01P)^2^+0.746P], P=(max(Fo^2^,0)+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0253
_refine_ls_wR_factor_ref         0.0254
_reflns_number_gt                303
_reflns_number_total             305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm103135k_si_002.cif
_cod_data_source_block           1790_Na8Si46
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

 Adding full bibliography for 4000728--4000729.cif.
;
_cod_original_cell_volume        1060.366(18)
_cod_original_sg_symbol_H-M      Pm-3n
_cod_database_code               4000728
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_diffrn_measurement_total_time-ccd 5.0
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