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_1561128
_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 Nd Ni O6 W'
_chemical_formula_weight         505.75957
_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                 90.164(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.45987(10)
_cell_length_b                   5.48140(10)
_cell_length_c                   7.81308(11)
_cell_measurement_temperature    300
_cell_volume                     233.827(7)
_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        119.8055
_pd_proc_2theta_range_min        9.8131
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        4.1526
_pd_proc_ls_prof_wR_expected     2.3390
_pd_proc_ls_prof_wR_factor       5.7009
_pd_proc_wavelength              1.540596
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   5.9408
_refine_ls_number_parameters     36
_refine_ls_number_reflns         411
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.7979
_cod_data_source_file            nandniwo6.cif
_cod_data_source_block           NaNdNiWO6
_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_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'Na Nd Ni W O6'
_cod_database_code               1561128
_pd_proc_ls_prof_cr_factor       16.3179
_pd_proc_ls_prof_cwr_factor      14.0148
_pd_proc_ls_prof_cwr_expected    5.7500
_pd_proc_ls_prof_chi2            5.9408
_pd_proc_ls_prof_echi2           6.2833