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_4000789
_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 Li2.03 Ni O8'
_chemical_formula_weight         418.56
_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
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' 2011-07-04T15:48  Initial CIF as created by GSAS2CIF'
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_computing_structure_refinement  GSAS
_diffrn_radiation_probe          neutron
_exptl_absorpt_correction_T_max  1.00000
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_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2011-07-04T15:48|FINALMODEL-AS_IN_PAP|nik|pol
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_fixed            90.00
_pd_meas_number_of_points        5525
_pd_phase_name                   'Li2NiGe3O8 @ 850C'
_pd_proc_info_datetime           2011-07-04T15:48:13
_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:    6.45721     2:  -0.749179     3:   0.898340     4:  -0.333844    
      5:   0.252033     6:  -3.538310E-02
;
_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  convolution Von Dreele, 1990 (unpublished)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        0.0378
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_pd_spec_mounting                ' ?'
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_refine_ls_matrix_type           full
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
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_cod_data_source_file            cm201429f_si_002.cif
_cod_data_source_block           FINALMODEL-AS_IN_PAP_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (63
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (188 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        566.693(31)
_cod_database_code               4000789
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000