NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride.
Kirik, Sergei D.; Zaitseva, Yulia N.; Leshok, Darya Yu; Samoilo, Alexandr S.; Dubinin, Petr S.; Yakimov, Igor S.; Simakov, Dmitry A.; Gusev, Alexandr O.; Inorganic chemistry 54 (2015) 5960–5969; doi:10.1021/acs.inorgchem.5b00772

data_4343096
_publ_section_title
;
 NaF-KF-AlF3 System: Phase Transition in K2NaAl3F12 Ternary Fluoride.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5960
_journal_page_last               5969
_journal_paper_doi               10.1021/acs.inorgchem.5b00772
_journal_volume                  54
_journal_year                    2015
_chemical_formula_analytical     'Al3 F12 K2 Na'
_chemical_formula_moiety         'Al3 F12 K2 Na'
_chemical_formula_structural     'K2 Na Al3 F12'
_chemical_formula_sum            'Al3 F12 K2 Na'
_chemical_formula_weight         410.13
_chemical_melting_point          596
_chemical_name_systematic
;
Di-potassium sodium tri-aluminium dodeca-fluoride
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   11.8793(8)
_cell_length_b                   6.9711(4)
_cell_length_c                   11.2531(6)
_cell_measurement_temperature    297
_cell_volume                     931.89(10)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      297
_diffrn_detector_type            PIXcel
_diffrn_measurement_device       'PANalytical XPert PRO'
_diffrn_measurement_device_type  diffractometr
_diffrn_measurement_method       '\q/2\q scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray Tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source
;
;
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    13.983
_exptl_crystal_density_diffrn    2.923
_exptl_crystal_F_000             784.0
_pd_char_colour                  colorless
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013000
_pd_meas_2theta_range_max        100.98300
_pd_meas_2theta_range_min        3.00200
_pd_meas_number_of_points        7538
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.013000
_pd_proc_2theta_range_max        101.0444
_pd_proc_2theta_range_min        3.0634
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        7.8858
_pd_proc_ls_prof_wR_expected     3.7776
_pd_proc_ls_prof_wR_factor       10.4133
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.93
_refine_ls_number_parameters     35
_refine_ls_number_reflns         1130
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.2946
_refine_ls_shift/su_max          0.10
_refine_ls_shift/su_mean         0.10
_cod_data_source_file            ic5b00772_si_001.cif
_cod_data_source_block           K2NaAl3F12(2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343096.cif.
;
_cod_original_cell_volume        931.90(5)
_cod_database_code               4343096