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_1560574
_publ_section_title
;
 Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO
 4 nanospheres
;
_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_absolute_configuration .
_chemical_formula_analytical     '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'
_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_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2110(2)
_cell_length_b                   5.92075(12)
_cell_length_c                   4.70581(11)
_cell_measurement_temperature    298
_cell_volume                     284.498(10)
_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    6.368
_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    3.7552
_exptl_crystal_F_000             308
_pd_char_colour                  'dark violet'
_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        60.014
_pd_meas_2theta_range_min        2.969
_pd_meas_number_of_points        3804
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        60.014
_pd_proc_2theta_range_min        2.969
_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        0.0305
_pd_proc_ls_prof_wR_expected     0.0275
_pd_proc_ls_prof_wR_factor       0.0408
_pd_spec_mounting                'sealed 0.5 mm capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.48
_refine_ls_number_constraints    0
_refine_ls_number_parameters     62
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.0357
_refine_ls_shift/su_mean         0.0058
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0284
_refine_ls_wR_factor_gt          0.0283
_cod_data_source_file            JSSC-2017-248-9.cif
_cod_data_source_block           after_TGA_of_nano-sized_Pna21-LiCoPO4_air
_cod_depositor_comments
;
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;-2yb;-2zac'
_cod_original_formula_sum        'Co1 Li1 O4 P1'
_cod_database_code               1560574