Room temperature structure and transport properties of the incommensurate modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>.
Li, Cheng; Pramana, Stevin S.; Skinner, Stephen J.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 1633–1646; doi:10.1039/c8dt03958e

data_7048299
_publ_section_title
;
 Room temperature structure and transport properties of the incommensurate
 modulated LaNb<sub>0.88</sub>W<sub>0.12</sub>O<sub>4.06</sub>.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1633
_journal_page_last               1646
_journal_paper_doi               10.1039/c8dt03958e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'La Nb0.88 O4 W0.12'
_chemical_formula_weight         306.7
_chemical_name_systematic        LaNb0.88W0.12O4
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_audit_update_record
;
2018-06-01 deposited with the CCDC.
2018-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.5403(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.41306(11)
_cell_length_b                   11.64322(17)
_cell_length_c                   5.29631(12)
_cell_measurement_temperature    293
_cell_modulation_dimension       2
_cell_volume                     333.682(11)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       MSPD@ALBA
_diffrn_measurement_device_type  Synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.3308
_exptl_absorpt_coefficient_mu    4.568
_exptl_crystal_density_diffrn    6.1055
_exptl_crystal_F_000             535
_exptl_crystal_recrystallization_method 'Solid State Synthesis'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.003
_pd_meas_2theta_range_max        31.965
_pd_meas_2theta_range_min        0.003
_pd_meas_number_of_points        10655
_pd_proc_2theta_range_inc        0.003
_pd_proc_2theta_range_max        19.998
_pd_proc_2theta_range_min        2.943
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0833
_pd_proc_ls_prof_wR_expected     0.0386
_pd_proc_ls_prof_wR_factor       0.1059
_refine_diff_density_max         1.14
_refine_diff_density_min         -3.88
_refine_ls_goodness_of_fit_all   2.74
_refine_ls_number_constraints    1
_refine_ls_number_parameters     77
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0794
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0895
_refine_ls_wR_factor_gt          0.0887
_cod_data_source_file            c8dt03958e2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '293K' was changed to '293' - the
value should be numeric and without a unit designator.

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048299.cif.
;
_cod_original_formula_sum        'La1 Nb0.88 O4 W0.12'
_cod_database_code               7048299