Synthèse et structure cristalline d'un matériau noir AgMn^II^~3~(Mn^III^~0,26~Al~0,74~)(MoO~4~)~5~
Bouzidi, Chahira; Frigui, Wafa; Zid, Mohamed Faouzi; Acta Crystallographica Section E 71 (2015) 299–304; doi:10.1107/S2056989015003345

data_2240438
_publ_section_title
;
 Synth\`ese et structure cristalline d'un mat\'eriau noir
 AgMn^II^~3~(Mn^III^~0,26~Al~0,74~)(MoO~4~)~5~
;
_journal_coeditor_code           RU2061
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1107/S2056989015003345
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Ag Al0.74 Mn3.26 Mo5 O20'
_chemical_formula_structural     'Ag Al0.74 Mn3.26 (Mo O4)5'
_chemical_formula_sum            'Ag Al0.74 Mn3.26 Mo5 O20'
_chemical_formula_weight         1106.64
_chemical_name_systematic
;
Silver(I) trimanganese(II) aluminium
pentakis[tetraoxidomolybdate(VI)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.654(6)
_cell_angle_beta                 87.442(6)
_cell_angle_gamma                79.299(7)
_cell_formula_units_Z            2
_cell_length_a                   6.9596(6)
_cell_length_b                   7.0326(7)
_cell_length_c                   17.909(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     860.0(3)
_computing_cell_refinement
;
CAD-4 EXPRESS (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992)
;
_computing_data_collection
;
CAD-4 EXPRESS (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992)
;
_computing_data_reduction
;
XCAD4 (Harms & Wocadlo, 1995)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2001)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0152
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       3
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5479
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        1.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    7.076
_exptl_absorpt_correction_T_max  0.2632
_exptl_absorpt_correction_T_min  0.1533
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
(North <i>et al.</i>, 1968)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.001
_refine_diff_density_min         -1.056
_refine_ls_extinction_coef       0.00248(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3736
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.240
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0245
_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^)+(0.0222P)^2^+3.8945P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0637
_reflns_number_gt                3470
_reflns_number_total             3736
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            ru2061sup1.cf
_cod_data_source_block           I
_cod_database_code               2240438
_cod_database_fobs_code          2240438