Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)
Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.; Chemistry of Materials 23 (2011) 3556–; doi:10.1021/cm201429f

data_4000791
_publ_section_title
;
 Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M =
 Ni or Zn)
;
_journal_issue                   15
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3556
_journal_paper_doi               10.1021/cm201429f
_journal_volume                  23
_journal_year                    2011
_chemical_formula_sum            'Ge3 Li1.99 O8 Zn'
_chemical_formula_weight         424.98
_chemical_name_systematic        ' ?'
_space_group_IT_number           212
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_audit_creation_date             2011-07-04T15:58
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2011-07-04T15:58  Initial CIF as created by GSAS2CIF'
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_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.28823(17)
_cell_length_b                   8.28823
_cell_length_c                   8.28823
_cell_volume                     569.358(12)
_computing_structure_refinement  GSAS
_diffrn_radiation_probe          neutron
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2011-07-04T15:58|LZG-850-ASINPAPER|nik|polaris
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_fixed            90.00
_pd_meas_number_of_points        5525
_pd_phase_name                   LZG
_pd_proc_info_datetime           2011-07-04T15:58:30
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  6 terms.
 Shifted Chebyshev function of 1st kind
      1:   0.624974     2:  -5.355500E-02 3:   7.694920E-02 4:  -2.872910E-02
      5:   2.143050E-02 6:  -4.301710E-03
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
 TOF Profile function number 3 with  21 terms
 Profile coefficients for exponential pseudovoigt
  convolution Von Dreele, 1990 (unpublished)
 Peak tails are ignored  where the intensity is below 0.0010 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0383
_pd_proc_ls_prof_wR_expected     0.0176
_pd_proc_ls_prof_wR_factor       0.0252
_pd_proc_number_of_points        5525
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.43
_refine_ls_matrix_type           full
_refine_ls_number_parameters     0
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.11522
_refine_ls_shift/su_max          0.06
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.500
_reflns_d_resolution_low         3.707
_reflns_limit_h_max              17
_reflns_limit_h_min              1
_reflns_limit_k_max              12
_reflns_limit_k_min              0
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_cod_data_source_block           LZG-850-ASINPAPER_publ
_cod_original_cell_volume        569.358(35)
_cod_original_formula_sum        'Ge3 Li1.99 O8 Zn1.00'
_cod_database_code               4000791
_gsas_exptl_extinct_corr_t_min   1.00000
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