High pressure synthesis of polar and non-polar cation-ordered polymorphs of Mn2ScSbO6.
Solana-Madruga, E; Dos Santos-García, A J; Arévalo-López, A M; Ávila-Brande, D; Ritter, C.; Attfield, J. P.; Sáez-Puche, R; Dalton transactions (Cambridge, England : 2003) 44 (2015) 20441–20448; doi:10.1039/c5dt03445k

data_7036870
_publ_section_title
;
 High pressure synthesis of polar and non-polar cation-ordered polymorphs
 of Mn2ScSbO6.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              20441
_journal_page_last               20448
_journal_paper_doi               10.1039/c5dt03445k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         Mn2O6SbSc
_chemical_formula_structural     Mn2_O6_Sb_Sc
_chemical_formula_sum            'Mn2 O6 Sb Sc'
_chemical_formula_weight         372.58
_chemical_name_common            Mn2ScSbO6-Ni3TeO6
_chemical_name_systematic        Mn2ScSbO6
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_audit_update_record
;
2015-09-30 deposited with the CCDC.
2015-10-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            3
_cell_length_a                   5.3419(5)
_cell_length_b                   5.3419(5)
_cell_length_c                   14.0603(2)
_cell_measurement_temperature    300
_cell_volume                     347.47(5)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.59360
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              D2B
_exptl_crystal_colour            black
_pd_char_colour                  dark_brown
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050018
_pd_meas_2theta_range_max        159.95000
_pd_meas_2theta_range_min        0.00000
_pd_meas_number_of_points        3200
_pd_proc_2theta_range_inc        0.050018
_pd_proc_2theta_range_max        159.7342
_pd_proc_2theta_range_min        -0.2158
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'Thomson-Cox-Hastings function'
_pd_proc_ls_prof_R_factor        3.0413
_pd_proc_ls_prof_wR_expected     3.2511
_pd_proc_ls_prof_wR_factor       3.8604
_pd_proc_wavelength              1.593600
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.5740
_refine_ls_number_parameters     116
_refine_ls_number_reflns         158
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            6.1775
_cod_data_source_file            c5dt03445k2.cif
_cod_data_source_block           NTO_RT_D2B
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036868--7036870.cif.
;
_cod_original_cell_volume        347.467(6)
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        Mn2O6SbSc
_cod_database_code               7036870
_pd_proc_ls_prof_cr_factor       28.8874
_pd_proc_ls_prof_cwr_factor      18.7691
_pd_proc_ls_prof_cwr_expected    15.8208