Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)
P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.; The Journal of Physical Chemistry C 125 (2021) 6749–6757; doi:10.1021/acs.jpcc.0c10340

data_1561127
_publ_section_title
;
 Structural, Magnetic, and Electrical Properties of Doubly Ordered
 Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)
;
_journal_issue                   12
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              6749
_journal_page_last               6757
_journal_paper_doi               10.1021/acs.jpcc.0c10340
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'Na Ni O6 Pr W'
_chemical_formula_weight         502.42722
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.123(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.4858(4)
_cell_length_b                   5.4827(4)
_cell_length_c                   7.81681(15)
_cell_measurement_temperature    300
_cell_volume                     235.11(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  Panalytical
_diffrn_radiation_monochromator  1.540596
_diffrn_radiation_type           "'Cu K\a'"
_diffrn_radiation_wavelength     1.540596
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013130
_pd_meas_2theta_range_max        119.99894
_pd_meas_2theta_range_min        10.00657
_pd_meas_number_of_points        8378
_pd_proc_2theta_range_inc        0.013130
_pd_proc_2theta_range_max        119.9852
_pd_proc_2theta_range_min        9.9928
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        5.1422
_pd_proc_ls_prof_wR_expected     2.6811
_pd_proc_ls_prof_wR_factor       6.9955
_pd_proc_wavelength              1.540596
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   6.8077
_refine_ls_number_parameters     46
_refine_ls_number_reflns         414
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.6316
_cod_data_source_file            naprniwo6.cif
_cod_data_source_block           NaPrNiWO6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1561127--1561133.cif.
;
_cod_original_cell_volume        235.11(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Na Pr Ni W O6'
_cod_database_code               1561127
_pd_proc_ls_prof_cr_factor       16.1545
_pd_proc_ls_prof_cwr_factor      15.2224
_pd_proc_ls_prof_cwr_expected    5.8342
_pd_proc_ls_prof_chi2            6.8077
_pd_proc_ls_prof_echi2           6.8127