Synthesis and Characterization of the Crystal Structure and Magnetic Properties of the Ternary Manganese Vanadate NaMnVO4
Hamdi Ben Yahia; Etienne Gaudin; Khalid Boulahya; Jacques Darriet; Won-Joon Son; Myung-Hwan Whangbo; Inorganic Chemistry 49 (2010) 8578–8582; doi:10.1021/ic101180h

data_4316549
_publ_section_title
;
 Synthesis and Characterization of the Crystal Structure and Magnetic
 Properties of the Ternary Manganese Vanadate NaMnVO4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8578
_journal_page_last               8582
_journal_paper_doi               10.1021/ic101180h
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'Mn Na O4 V'
_chemical_formula_sum            'Mn Na O4 V'
_chemical_formula_weight         192.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.563(1)
_cell_length_b                   6.882(1)
_cell_length_c                   5.316(1)
_cell_measurement_temperature    293(1)
_cell_volume                     349.86(9)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293(1)
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       '/f scans + /w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0955
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            11788
_diffrn_reflns_theta_full        39.98
_diffrn_reflns_theta_max         39.98
_diffrn_reflns_theta_min         11.67
_exptl_absorpt_coefficient_mu    6.249
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Jana2000; Petricek and Dusek, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.6604
_exptl_crystal_description       block
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.065
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.019
_refine_diff_density_max         1.40
_refine_diff_density_min         -1.41
_refine_ls_extinction_coef       0.32(6)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.04
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_number_parameters     41
_refine_ls_number_reflns         1114
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.000676I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                807
_reflns_number_total             1114
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic101180h_si_002.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        349.85(9)
_cod_original_formula_sum        'Mn1 Na1 O4 V1'
_cod_database_code               4316549