Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries
Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie; Chemistry of Materials 26 (2014) 4178–; doi:10.1021/cm5012845

data_4002024
_publ_section_title
;
 Synthesis and Electrochemical Performance of the Orthorhombic
 Li2Fe(SO4)2Polymorph for Li-Ion Batteries
;
_journal_issue                   14
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4178
_journal_paper_doi               10.1021/cm5012845
_journal_volume                  26
_journal_year                    2014
_chemical_formula_moiety         '(Li1 1+)2, (Co1 2+), (S O4 2-)2'
_chemical_formula_structural     'Li2 Co1 (S O4)2'
_chemical_formula_sum            'Co Li2 O8 S2'
_chemical_formula_weight         264.937
_chemical_name_common            'orthorhombic lithium cobalt sulfate'
_chemical_name_systematic        'orthorhombic lithium cobalt sulfate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   9.20688(9)
_cell_length_b                   9.10175(9)
_cell_length_c                   13.71190(16)
_cell_measurement_temperature    298
_cell_volume                     1149.04(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Brucker D8'
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.789010
_diffrn_source                   Co
_exptl_crystal_density_diffrn    3.0632
_pd_char_colour                  pink
_pd_instr_location
;
Institut de Mineralogie, de Physique des Materiaux, et de Cosmochimie (IMPMC)
Sorbonne Universites - UPMC Univ Paris 06
UMR CNRS 7590
Museum National d'Histoire Naturelle
IRD UMR 206
4 Place Jussieu
F-75005 Paris
;
_pd_meas_2theta_range_inc        0.008356
_pd_meas_2theta_range_max        90.00102
_pd_meas_2theta_range_min        10.00418
_pd_meas_number_of_points        9575
_pd_proc_2theta_range_inc        0.008356
_pd_proc_2theta_range_max        89.9887
_pd_proc_2theta_range_min        9.9918
_pd_proc_ls_pref_orient_corr
;
.
;
_pd_proc_ls_prof_R_factor        1.4983
_pd_proc_ls_prof_wR_expected     1.5335
_pd_proc_ls_prof_wR_factor       1.9579
_pd_proc_wavelength              1.789010
_refine_ls_number_parameters     111
_refine_ls_number_reflns         644
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            1.9868
_cod_data_source_file            cm5012845_si_002.cif
_cod_data_source_block           orthorhombicLi2CoS2O8
_cod_depositor_comments          'Adding full bibliography for 4002024.cif.'
_cod_original_formula_sum        'Co1 Li2 O8 S2'
_cod_database_code               4002024
_pd_proc_ls_prof_cr_factor       13.0094
_pd_proc_ls_prof_cwr_factor      9.7367
_pd_proc_ls_prof_cwr_expected    7.6261
_pd_proc_ls_prof_chi2            1.6301
_pd_proc_ls_prof_echi2           1.6425