Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.
Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9689–9694; doi:10.1039/c6dt01074a

data_7040216
_publ_section_title
;
 Synthesis, structure and geometrically frustrated magnetism of the
 layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9689
_journal_page_last               9694
_journal_paper_doi               10.1039/c6dt01074a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_iupac          'Fe3.19 Mn0.81 Si2 Sn7 O16'
_chemical_formula_moiety         'Fe3.19 Mn0.81 O16 Si2 Sn7'
_chemical_formula_structural     'Fe3.19 Mn0.81 Si2 Sn7 O16'
_chemical_formula_sum            'Fe3.19 Mn0.81 O16 Si2 Sn7'
_chemical_formula_weight         1365.777
_chemical_name_systematic
;
Iron Manganese Silicon Tin Oxide
;
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            1
_cell_length_a                   6.83663(14)
_cell_length_b                   6.83663(14)
_cell_length_c                   9.14429(19)
_cell_measurement_reflns_used    314
_cell_measurement_temperature    298
_cell_measurement_theta_max      81.9379
_cell_measurement_theta_min      1.3754
_cell_volume                     370.139(13)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_detector_type            '128 linear position sensitive detectors'
_diffrn_measurement_device_type  local
_diffrn_radiation_monochromator  'Ge 335'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.62150
_diffrn_source                   'nuclear reactor'
_diffrn_source_type
'Echidna (high resolution neutron powder diffractometer)'
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  yellow
_pd_char_particle_morphology     plate-like
_pd_instr_location
; 
'Echidna (high resolution powder diffractometer), Bragg Institute,
ANSTO (Australia)'
;
_pd_meas_2theta_range_inc        0.125000
_pd_meas_2theta_range_max        163.87579
_pd_meas_2theta_range_min        2.75080
_pd_meas_number_of_points        1290
_pd_meas_scan_method             fixed
_pd_prep_temperature             1273
_pd_proc_2theta_range_inc        0.125000
_pd_proc_2theta_range_max        163.7316
_pd_proc_2theta_range_min        2.6066
_pd_proc_info_excluded_regions   '0.00 to 6.00 and 162.70 to 164.00'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.0522
_pd_proc_ls_prof_wR_expected     2.3704
_pd_proc_ls_prof_wR_factor       3.9401
_pd_proc_wavelength              1.621500
_pd_spec_mounting
; 
'vanadium can'
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   1.6
_refine_ls_number_parameters     44
_refine_ls_number_reflns         314
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            4.4786
_refine_ls_shift/su_max          0.006136
_cod_data_source_file            c6dt01074a3.cif
_cod_data_source_block           Fe3Mn
_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/current/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 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        370.139(14)
_cod_database_code               7040216
_pd_proc_ls_prof_cr_factor       8.4275
_pd_proc_ls_prof_cwr_factor      8.8232
_pd_proc_ls_prof_cwr_expected    5.3081
_pd_proc_ls_prof_chi2            2.7629
_pd_proc_ls_prof_echi2           2.7629