Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres
Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom; Journal of Solid State Chemistry 248 (2017) 9–17; doi:10.1016/j.jssc.2017.01.015

data_1560572
_publ_section_title
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 Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO
 4 nanospheres
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_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               17
_journal_paper_doi               10.1016/j.jssc.2017.01.015
_journal_volume                  248
_journal_year                    2017
_chemical_formula_analytical     'Co1.03 Li0.95 O4 P1'
_chemical_formula_structural     'Co1.03 Li0.95 O4 P1'
_chemical_formula_sum            'Co1.03 Li0.95 O4 P'
_chemical_formula_weight         162.1
_chemical_name_common            'lithium cobalt phosphate'
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.035(4)
_cell_length_b                   4.967(2)
_cell_length_c                   6.716(2)
_cell_measurement_temperature    298
_cell_volume                     334.8(2)
_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    5.542
_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_density_diffrn    3.2162
_exptl_crystal_F_000             306
_pd_char_colour                  blue
_pd_char_particle_morphology     'fine powder'
_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        60.034
_pd_meas_2theta_range_min        3.019
_pd_meas_number_of_points        3802
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        60.034
_pd_proc_2theta_range_min        3.019
_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        0.0260
_pd_proc_ls_prof_wR_expected     0.0278
_pd_proc_ls_prof_wR_factor       0.0345
_pd_spec_mounting                'sealed 0.5 mm capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.27
_refine_ls_number_constraints    1
_refine_ls_number_parameters     71
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0213
_refine_ls_shift/su_max          0.0294
_refine_ls_shift/su_mean         0.0036
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0250
_refine_ls_wR_factor_gt          0.0250
_cod_data_source_file            JSSC-2017-248-9.cif
_cod_data_source_block           nano-sized_Pna21-LiCoPO4
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_Hall     'P -2xabc;-2yab;2zc'
_cod_original_formula_sum        'Co1.03 Li0.95 O4 P1'
_cod_database_code               1560572