α-Na2Ni2Fe(PO4)3: a dual positive/negative electrode material for sodium ion batteries.
Essehli, R.; Belharouak, I.; Ben Yahia, H.; Chamoun, R.; Orayech, B.; El Bali, B.; Bouziane, K.; Zhou, X. L.; Zhou, Z.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 4526–4532; doi:10.1039/c5dt00021a

data_7033827
_publ_section_title
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 \a-Na2Ni2Fe(PO4)3: a dual positive/negative electrode material for sodium
 ion batteries.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4526
_journal_page_last               4532
_journal_paper_doi               10.1039/c5dt00021a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Fe1 Na2 Ni2 O12 P3'
_chemical_formula_sum            'Fe Na2 Ni2 O12 P3'
_chemical_formula_weight         504.1
_chemical_name_systematic        ' ?'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.42821(12)
_cell_length_b                   13.19862(15)
_cell_length_c                   6.47634(8)
_cell_measurement_temperature    293
_cell_volume                     891.390(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    24.72
_exptl_crystal_density_diffrn    3.7564
_exptl_crystal_F_000             980
_pd_char_colour                  yellow
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        99.990
_pd_meas_2theta_range_min        10.000
_pd_meas_number_of_points        9000
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        99.99
_pd_proc_2theta_range_min        10
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0184
_pd_proc_ls_prof_wR_expected     0.0203
_pd_proc_ls_prof_wR_factor       0.0234
_refine_diff_density_max         1.10
_refine_diff_density_min         -1.77
_refine_ls_goodness_of_fit_all   1.15
_refine_ls_number_constraints    9
_refine_ls_number_parameters     42
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.0383
_refine_ls_shift/su_mean         0.0022
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0447
_refine_ls_wR_factor_gt          0.0436
_cod_data_source_file            c5dt00021a2.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033827.cif.
;
_cod_original_formula_sum        'Fe1 Na2 Ni2 O12 P3'
_cod_database_code               7033827