Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).
Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.; Acta crystallographica. Section C, Structural chemistry 73 (2017) 1071–1077; doi:10.1107/S2053229617015674

data_2311946
_publ_section_title
;
 Synthesis, crystal structures and properties of the new compounds
 K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).
;
_journal_coeditor_code           LY3055
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              1071
_journal_page_last               1077
_journal_paper_doi               10.1107/S2053229617015674
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'K7 Ag (W O4)4'
_chemical_formula_moiety         'Ag O16 W4, 7(K)'
_chemical_formula_structural     'K7 Ag (WO4)4'
_chemical_formula_sum            'Ag K7 O16 W4'
_chemical_formula_weight         1372.94
_chemical_name_systematic
;
Heptapotassium silver tetrakis(tetraoxotungstate)
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           186
_space_group_name_Hall           'P 6c -2c'
_space_group_name_H-M_alt        'P 63 m c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   12.4912(5)
_cell_length_b                   12.4912(5)
_cell_length_c                   7.4526(3)
_cell_measurement_temperature    296
_cell_volume                     1007.04(7)
_computing_cell_refinement
;
GSAS (Larson & von Dreele, 2004)
;
_computing_data_reduction
;
GSAS (Larson & von Dreele, 2004)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2008)
;
_computing_publication_material
;
GSAS (Larson & von Dreele, 2004)
;
_computing_structure_refinement
;
GSAS (Larson & von Dreele, 2004)
;
_computing_structure_solution
;
GSAS (Larson & von Dreele, 2004)
;
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'D8 ADVANCE Bruker AX'
_diffrn_radiation_monochromator  none
_exptl_absorpt_coefficient_mu    62.374
_exptl_crystal_density_diffrn    4.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1208.0
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02076
_pd_meas_2theta_range_max        100
_pd_meas_2theta_range_min        7
_pd_meas_number_of_points        4480
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.02076
_pd_proc_2theta_range_max        100
_pd_proc_2theta_range_min        7
_pd_proc_ls_background_function
;GSAS Background function number 1 with 14 terms.
 Shifted Chebyshev function of 1st kind
      1:    3805.50     2:   -4412.29     3:    3122.14     4:   -1928.69
      5:    1209.58     6:   -754.027     7:    531.881     8:   -377.433
      9:    249.957    10:   -172.455    11:    78.0314    12:   -188.338
     13:    153.634    14:   -119.875
;
_pd_proc_ls_pref_orient_corr
; March-Dollase
 AXIS  1 Ratio=     0.780 Frac     0.250  h= 0.000  k= 2.000  l= 1.000
 AXIS  2 Ratio=     0.439 Frac     0.250  h= 0.000  k= 0.000  l= 2.000
 AXIS  3 Ratio=     0.447 Frac     0.250  h= 0.000  k= 1.000  l= 2.000
 AXIS  4 Ratio=     1.557 Frac     0.250  h=-2.000  k= 4.000  l= 1.000
 Prefered orientation correction range: Min=   0.58799, Max=   4.44535
;
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0403
_pd_proc_ls_prof_wR_expected     0.0146
_pd_proc_ls_prof_wR_factor       0.0528
_pd_spec_mounting                ' packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   3.64
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     53
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.0008
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ly3055sup1.cif
_cod_data_source_block           K7Ag(WO4)4
_cod_original_cell_volume        1007.04(11)
_cod_database_code               2311946