Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)
P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan; The Journal of Physical Chemistry C 125 (2021) 10803–10809; doi:10.1021/acs.jpcc.1c02316

data_1562381
_publ_section_title
;
 Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites
 NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)
;
_journal_issue                   19
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              10803
_journal_page_last               10809
_journal_paper_doi               10.1021/acs.jpcc.1c02316
_journal_volume                  125
_journal_year                    2021
_chemical_formula_sum            'Lu Mn Na O6 W'
_chemical_formula_weight         532.731219
_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                 90.2851(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.34558(6)
_cell_length_b                   5.55762(7)
_cell_length_c                   7.87444(7)
_cell_measurement_temperature    300
_cell_volume                     233.936(4)
_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        119.99345
_pd_meas_2theta_range_min        10.00107
_pd_meas_number_of_points        8378
_pd_proc_2theta_range_inc        0.013130
_pd_proc_2theta_range_max        119.8527
_pd_proc_2theta_range_min        9.8603
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        7.5050
_pd_proc_ls_prof_wR_expected     3.1359
_pd_proc_ls_prof_wR_factor       10.1280
_pd_proc_wavelength              1.540596
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   10.4310
_refine_ls_number_parameters     36
_refine_ls_number_reflns         398
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            12.3278
_cod_data_source_file            nalumnwo6.cif
_cod_data_source_block           NaLuMnWO6
_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 1562381--1562385.cif.
;
_cod_original_cell_volume        233.937(4)
_cod_original_formula_sum        'Na Lu Mn W O6'
_cod_database_code               1562381
_pd_proc_ls_prof_cr_factor       20.2444
_pd_proc_ls_prof_cwr_factor      20.3174
_pd_proc_ls_prof_cwr_expected    6.2908
_pd_proc_ls_prof_chi2            10.4310
_pd_proc_ls_prof_echi2           10.6409