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_1563565
_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                   5.6455(22)
_cell_length_b                   5.6455
_cell_length_c                   5.6455
_cell_volume                     179.93(7)
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5403
_exptl_absorpt_correction_T_max  0.51008
_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        166.45
_pd_meas_2theta_range_min        3.0
_pd_meas_number_of_points        3270
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        166.5046
_pd_proc_2theta_range_min        3.0546
_pd_proc_info_datetime           2006-07-17T09:46:43
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 2 with 24 terms.
 Cosine Fourier series
      1:    3100.05     2:    463.194     3:    564.567     4:   -326.475    
      5:    380.151     6:   -198.174     7:    275.523     8:   -109.726    
      9:    224.676    10:   -26.0413    11:    99.6707    12:   -32.2903    
     13:    38.5737    14:    71.6428    15:    43.6155    16:    76.9575    
     17:   -2.60762    18:    38.6871    19:   -46.8284    20:    22.8265    
     21:   -17.2059    22:    26.0367    23:   -10.3946    24:    16.8229    
;
_pd_proc_ls_prof_R_factor        0.0178
_pd_proc_ls_prof_wR_expected     0.0178
_pd_proc_ls_prof_wR_factor       0.0213
_pd_proc_number_of_points        3270
_pd_spec_mounting                ' ?'
_refine_ls_R_Fsqd_factor         0.05565
_reflns_d_resolution_high        0.783
_reflns_d_resolution_low         12.995
_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             664
_cod_data_source_file            JSSC-2010-183-1272.cif
_cod_data_source_block           NAGE3K4_phase_2
_cod_original_cell_volume        179.93(21)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1563565
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000