Tungsten Fluorides: Syntheses and Electrochemical Characterization in the FLINAK Molten Salt Eutectic
Sven E. Eklund; James Q. Chambers; Gleb Mamantov; Jon Diminnie; Craig E. Barnes; Inorganic Chemistry 40 (2001) 715–722; doi:10.1021/ic000491o

data_4319228
_publ_contact_author
;
Craig E. Barnes
Department of Chemistry
University of Tennessee
Knoxville, TN 37996-1600
;
_publ_contact_author_email       'cebarnes@utk.edu '
_publ_contact_author_fax         ' 865 974 3454 '
_publ_contact_author_phone       ' 865 974 3446 '
_publ_section_title
;
 Tungsten Fluorides: Syntheses and Electrochemical Characterization in the
 FLINAK Molten Salt Eutectic
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              715
_journal_page_last               722
_journal_paper_doi               10.1021/ic000491o
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'F6 K3 W'
_chemical_formula_sum            'F6 K3 W'
_chemical_formula_weight         415.15
_chemical_melting_point          ?
_chemical_name_systematic
; Tripotassium Tungsten(III) Hexafluoride

  

;
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9160(10)
_cell_length_b                   8.9160(10)
_cell_length_c                   8.9160(10)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      4
_cell_volume                     708.78(14)
_computing_cell_refinement       'Siemens P3 (Siemens, 1988)'
_computing_data_collection       'Siemens P3 (Siemens, 1988)'
_computing_data_reduction        'Siemens P3 (Siemens, 1988)'
_computing_molecular_graphics    'XP (Siemens, 1990)'
_computing_publication_material  'Siemens SHELXTL-93 (Siemens, 1994)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device_type  'Siemens R3m/V'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            219
_diffrn_reflns_theta_max         22.35
_diffrn_reflns_theta_min         3.96
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    18.093
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.130
_refine_diff_density_min         -0.726
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.275
_refine_ls_matrix_type           full
_refine_ls_number_parameters     7
_refine_ls_number_reflns         40
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1011P)^2^+22.4820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1381
_reflns_number_gt                40
_reflns_number_total             40
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic000491o_1.cif
_cod_data_source_block           ?
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'Unknown' was changed to '?' - the
value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4319228