Nitridation effect on lithium iron phosphate cathode for rechargeable batteries
Mayer, Sergio Federico; de la Calle, Cristina; Fernández-Díaz, María Teresa; Amarilla, José Manuel; Alonso, José Antonio; RSC Advances 12 (2022) 3696–3707; doi:10.1039/D1RA07574H

data_7244316
_publ_section_title
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 Nitridation effect on lithium iron phosphate cathode for rechargeable
 batteries
;
_journal_issue                   6
_journal_name_full               'RSC Advances'
_journal_page_first              3696
_journal_page_last               3707
_journal_paper_doi               10.1039/D1RA07574H
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'Fe Li0.94 N0.16 O3.84 P'
_chemical_formula_weight         157.0241
_chemical_name_common            LiFePO4
_chemical_name_systematic        'Nitrided LFP'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
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2021-09-20 deposited with the CCDC.	2022-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.3261(15)
_cell_length_b                   6.0071(10)
_cell_length_c                   4.6943(7)
_cell_measurement_temperature    298
_cell_volume                     291.19(8)
_computing_publication_material  'FULLPROF & publCIF'
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'D2B diffractometer at ILL-Grenoble'
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.59400
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    3.582
_exptl_crystal_description       unknown
_exptl_crystal_preparation       'Active as intercalation cathode'
_exptl_crystal_recrystallization_method 'Citrate chemistry'
_pd_meas_2theta_range_inc        0.050018
_pd_meas_2theta_range_max        158.70000
_pd_meas_2theta_range_min        0.30000
_pd_meas_number_of_points        3169
_pd_proc_2theta_range_inc        0.050018
_pd_proc_2theta_range_max        158.7996
_pd_proc_2theta_range_min        0.3996
_pd_proc_ls_prof_R_factor        1.3852
_pd_proc_ls_prof_wR_expected     1.8236
_pd_proc_ls_prof_wR_factor       1.7387
_pd_proc_wavelength              1.594000
_refine_ls_goodness_of_fit_all   0.9090
_refine_ls_number_parameters     83
_refine_ls_number_reflns         321
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.3960
_cod_data_source_file            d1ra07574h3.cif
_cod_data_source_block           LiFePO3p8N0p2
_cod_original_formula_sum        'Li0.94 Fe1 P1 N0.16 O3.84'
_cod_database_code               7244316
_publcif_datablock.id            {5c676d4f-e3d8-48ac-9be6-b7c9b607820c}
_pd_proc_ls_prof_cr_factor       30.0075
_pd_proc_ls_prof_cwr_factor      26.2048
_pd_proc_ls_prof_cwr_expected    27.4853
_pd_proc_ls_prof_echi2           0.9090
_publcif_funding_html
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