Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries
Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom; RSC Adv.  (2016) –; doi:10.1039/C6RA19767A

data_7226351
_publ_section_title
;
 Facile, ethylene glycol-promoted microwave-assisted solvothermal
 synthesis of high-performance LiCoPO4as a high-voltage cathode material
 for lithium-ion batteries
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA19767A
_journal_year                    2016
_chemical_formula_analytical     'Co1 Li1 O4 P1'
_chemical_formula_moiety         'Co1 Li1 O4 P1'
_chemical_formula_structural     'Co1 Li1 O4 P1'
_chemical_formula_sum            'Co Li O4 P'
_chemical_formula_weight         160.8
_chemical_name_common            'lithium cobalt phosphate'
_chemical_name_systematic        'lithium cobalt phosphate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_update_record
;
2016-08-19 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1931(8)
_cell_length_b                   5.9195(5)
_cell_length_c                   4.6961(4)
_cell_measurement_temperature    298
_cell_volume                     283.35(4)
_diffrn_ambient_temperature      298
_diffrn_detector                 'linear PSD'
_diffrn_detector_type            'Dectris MYTHEN DCS 1K'
_diffrn_measurement_device       'X-ray powder diffractometer'
_diffrn_measurement_device_type  'Stoe STADI P'
_diffrn_radiation_monochromator  Ge(111)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a1'
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    6.414
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details
'Cromer, D. T.; Liberman, D. A., Acta Crystallogr., Sect. A 1981, A37, (2), 267-268.'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    3.7704
_exptl_crystal_description       'hexagonal platelets'
_exptl_crystal_F_000             308
_exptl_crystal_recrystallization_method
'microwave-assisted solvothermal synthesis and intensive washing'
_pd_block_diffractogram_id       LCP-MW-w_powder_data
_pd_char_colour                  violet
_pd_char_particle_morphology     'fine powder, hexagonal platelets'
_pd_instr_location
; Technical University of Munich
 Department of Chemistry 
 Lichtenbergstr. 4 
 85747 Garching 
 Germany
;
_pd_meas_2theta_range_inc        0.015
_pd_meas_2theta_range_max        69.931
_pd_meas_2theta_range_min        3.001
_pd_meas_number_of_points        4463
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        69.931
_pd_proc_2theta_range_min        3.001
_pd_proc_ls_background_function  '35 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0633
_pd_proc_ls_prof_wR_expected     0.0557
_pd_proc_ls_prof_wR_factor       0.0856
_pd_spec_mounting                'sealed 0.5 mm capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.54
_refine_ls_number_constraints    0
_refine_ls_number_parameters     61
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.0412
_refine_ls_shift/su_mean         0.0020
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0358
_refine_ls_wR_factor_gt          0.0358
_cod_data_source_file            c6ra19767a2.cif
_cod_data_source_block           LCP-MW-w
_cod_depositor_comments
;
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 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_Hall     '-P -2xabc;-2yb;-2zac'
_cod_original_formula_sum        'Co1 Li1 O4 P1'
_cod_database_code               7226351