Existence of Two Concomitant Magnetic Structures Below TNéelfor the Natrochalcite, NaFeII2(H3O2)(MoO4)2
Wassim Maalej; Serge Vilminot; Gilles André; Zakaria Elaoud; Tahar Mhiri; Mohamedally Kurmoo; Inorganic Chemistry 50 (2011) 9191–9199; doi:10.1021/ic2015308

data_4326307
_publ_section_title
;
 Existence of Two Concomitant Magnetic Structures Below TN\'eelfor the
 Natrochalcite, NaFeII2(H3O2)(MoO4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9191
_journal_page_last               9199
_journal_paper_doi               10.1021/ic2015308
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'Fe2 H3 Mo2 Na O10'
_chemical_formula_weight         489.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.008(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4863(13)
_cell_length_b                   6.3903(8)
_cell_length_c                   7.6386(8)
_cell_measurement_temperature    173(2)
_cell_volume                     416.16(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2319
_diffrn_reflns_theta_full        27.96
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    6.451
_exptl_crystal_density_diffrn    3.907
_exptl_crystal_F_000             460
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0195
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0180P)^2^+0.1876P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0371
_refine_ls_wR_factor_ref         0.0385
_reflns_number_gt                468
_reflns_number_total             544
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2015308_si_002.cif
_cod_data_source_block           nafemo2
_cod_original_formula_sum        'H3 Fe2 Mo2 Na O10'
_cod_database_code               4326307