New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties.
Nalbandyan, Vladimir B.; Zvereva, Elena A.; Nikulin, Alexey Yu; Shukaev, Igor L.; Whangbo, Myung-Hwan; Koo, Hyun-Joo; Abdel-Hafiez, Mahmoud; Chen, Xiao-Jia; Koo, Changhyun; Vasiliev, Alexander N.; Klingeler, Rüdiger; Inorganic chemistry 54 (2015) 1705–1711; doi:10.1021/ic502666c

data_4342220
_publ_section_title
;
 New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and
 Thermodynamic Properties.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1705
_journal_page_last               1711
_journal_paper_doi               10.1021/ic502666c
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Mn O6 Sb2'
_chemical_formula_weight         394.43
_space_group_IT_number           162
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_audit_creation_date             2014-09-19T16:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2014-09-19T16:53  Initial CIF as created by GSAS2CIF

2015-01-08 # Formatted by publCIF
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   5.20649(9)
_cell_length_b                   5.20649
_cell_length_c                   4.66276(15)
_cell_measurement_temperature    298
_cell_volume                     109.462(4)
_computing_data_collection       WinXRD
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  ARL'Xtra
_diffrn_radiation_polarisn_ratio 0.716
_diffrn_radiation_probe          x-ray
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_crystal_density_diffrn    5.983
_pd_block_id                     2014-09-19T16:53|MNSB2O6_ILS_VAR5|ILS|ARL
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  pink
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        109.98
_pd_meas_2theta_range_min        16.0
_pd_meas_number_of_points        4700
_pd_meas_scan_method             continues
_pd_phase_name                   MnSb2O6
_pd_prep_pressure                100
_pd_prep_temperature             740
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        109.98066
_pd_proc_2theta_range_min        16.00066
_pd_proc_info_datetime           2014-09-19T16:53:41
_pd_proc_ls_background_function
;
GSAS Background function number 1 with 18 terms.
Shifted Chebyshev function of 1st kind
      1:    172.448     2:   -177.816     3:    118.808     4:   -56.4286    
      5:    35.4543     6:   -16.6645     7:    2.68368     8:    5.73466    
      9:   -10.4706    10:    11.4592    11:   -14.2488    12:    18.0616    
     13:   -16.0721    14:    15.3613    15:   -11.9503    16:    10.0384    
     17:   -5.66191    18:    6.48526
;
_pd_proc_ls_peak_cutoff          0.00040
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   0.97588  h= 0.000  k= 0.000  l= 1.000
 Prefered orientation correction range: Min=   0.96404, Max=   1.07600
;
_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Peak tails are ignored  where the intensity is below 0.0004 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0761
_pd_proc_ls_prof_wR_expected     0.0545
_pd_proc_ls_prof_wR_factor       0.0968
_pd_proc_number_of_points        4700
_refine_ls_goodness_of_fit_all   1.79
_refine_ls_matrix_type           full
_refine_ls_number_parameters     46
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.01948
_refine_ls_shift/su_max          0.07
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.946
_reflns_d_resolution_low         4.663
_reflns_limit_h_max              5
_reflns_limit_h_min              0
_reflns_limit_k_max              3
_reflns_limit_k_min              0
_reflns_limit_l_max              5
_reflns_limit_l_min              -5
_reflns_number_total             61
_cod_data_source_file            ic502666c_si_002.cif
_cod_data_source_block           MnSb2O6_publ
_cod_depositor_comments          'Adding full bibliography for 4342220.cif.'
_cod_original_cell_volume        109.462(5)
_cod_database_code               4342220
_publcif_datablock.id            {3ee4c039-71da-4f34-92bc-123f9b7a7c7d}
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n