New series of triple molybdates AgA3R(MoO4)5 (A=Mg, R=Cr, Fe; A=Mn, R=Al, Cr, Fe, Sc, In) with framework structures and mobile silver ion sublattices
Kotova, Irina Yu.; Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Belov, Dmitry A.; Stefanovich, Sergey Yu.; Savina, Aleksandra A.; Khaikina, Elena G.; Journal of Solid State Chemistry 238 (2016) 121–128; doi:10.1016/j.jssc.2016.03.003

data_1561495
_publ_section_title
;
 New series of triple molybdates AgA3R(MoO4)5 (A=Mg, R=Cr, Fe; A=Mn, R=Al,
 Cr, Fe, Sc, In) with framework structures and mobile silver ion
 sublattices
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              121
_journal_page_last               128
_journal_paper_doi               10.1016/j.jssc.2016.03.003
_journal_volume                  238
_journal_year                    2016
_chemical_formula_moiety         'Ag0.95 Fe1.04 Mg2.96 Mo5 O20'
_chemical_formula_sum            'Ag0.95 Fe1.04 Mg2.96 Mo5 O20'
_chemical_formula_weight         1032.92
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                88.0050(10)
_cell_angle_beta                 87.3830(10)
_cell_angle_gamma                78.8590(10)
_cell_formula_units_Z            2
_cell_length_a                   6.8987(2)
_cell_length_b                   6.9649(2)
_cell_length_c                   17.7208(4)
_cell_measurement_reflns_used    7620
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      1.15
_cell_volume                     834.25(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX CCD diffractometer'
_diffrn_measurement_method       '\f scans, frame data integration'
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7620
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.15
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.839
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    4.114
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             955.5
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.326
_refine_diff_density_min         -0.968
_refine_diff_density_rms         0.386
_refine_ls_extinction_coef       0.0071(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         3384
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.277
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+1.5785P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0715
_reflns_number_gt                3293
_reflns_number_total             3432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-238-121.cif
_cod_data_source_block           Ag0.97Cr1.02Mg2.98Mo5O20
_cod_database_code               1561495
_exptl_crystal_f_000'            937.91
_exptl_absorpt_correction_t_min' 0.521