Structure and thermal conductivity of Na1−Ge3+
Beekman, M.; Stefanoski, S.; Wong-Ng, W.; Kaduk, J.A.; Huang, Q.; Reeg, C.; Bowers, C.R.; Nolas, G.S.; Journal of Solid State Chemistry 183 (2010) 1272–1277; doi:10.1016/j.jssc.2010.03.035

data_1563567
_publ_section_title
;
 Structure and thermal conductivity of Na1&#x2212;Ge3+
;
_journal_issue                   6
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1272
_journal_page_last               1277
_journal_paper_doi               10.1016/j.jssc.2010.03.035
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            Ge
_chemical_formula_weight         72.59
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   5.6575(20)
_cell_length_b                   5.6575
_cell_length_c                   5.6575
_cell_volume                     181.08(6)
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5403
_exptl_absorpt_correction_T_max  0.51073
_exptl_absorpt_correction_T_min  0.46200
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 Debye-Scherrer absorption correction
Term (= MU.r/wave) =     0.30000    
Correction is not refined.
;
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        165.35
_pd_meas_2theta_range_min        3.0
_pd_meas_number_of_points        3248
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        165.383
_pd_proc_2theta_range_min        3.033
_pd_proc_info_datetime           2006-07-17T09:52:49
_pd_proc_ls_background_function
;   GSAS Background function number 2 with 24 terms.
 Cosine Fourier series
      1:    2379.10     2:    1315.30     3:   -326.565     4:    531.893    
      5:   -402.169     6:    567.947     7:   -379.224     8:    487.541    
      9:   -313.405    10:    428.582    11:   -272.721    12:    281.246    
     13:   -192.983    14:    250.366    15:   -91.1733    16:    177.187    
     17:   -73.5971    18:    78.8118    19:   -59.3063    20:    29.4677    
     21:   -14.1045    22:    23.0584    23:   -2.13873    24:    15.9591    
;
_pd_proc_ls_prof_R_factor        0.0171
_pd_proc_ls_prof_wR_expected     0.0188
_pd_proc_ls_prof_wR_factor       0.0204
_pd_proc_number_of_points        3248
_pd_spec_mounting                ' ?'
_pd_spec_shape
;? 
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration o 0.00500
;
_refine_ls_R_Fsqd_factor         0.05715
_reflns_d_resolution_high        0.783
_reflns_d_resolution_low         13.046
_reflns_limit_h_max              16
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              0
_reflns_number_total             668
_cod_data_source_file            JSSC-2010-183-1272.cif
_cod_data_source_block           NAGE3RT_phase_2
_cod_original_cell_volume        181.08(19)
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               1563567
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000