BiMnFe2O6, a polysynthetically twinned hcp MO structure
Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha; Chemical Science 1 (2010) 751–; doi:10.1039/c0sc00348d

data_1515831
_publ_section_title
;
 BiMnFe2O6, a polysynthetically twinned hcp MO structure
;
_journal_issue                   6
_journal_name_full               'Chemical Science'
_journal_page_first              751
_journal_paper_doi               10.1039/c0sc00348d
_journal_volume                  1
_journal_year                    2010
_chemical_formula_moiety         BiMnFe2O6
_chemical_formula_sum            'Bi Fe2 Mn O6'
_chemical_formula_weight         471.62
_chemical_name_systematic        ?
_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.03590(3)
_cell_length_b                   7.07342(4)
_cell_length_c                   12.65425(6)
_cell_measurement_pressure       101
_cell_measurement_temperature    293
_cell_volume                     450.757(4)
_diffrn_ambient_pressure         101
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'PANalytical X Pert Pro Alpha-1'
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540596
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    6.947
_exptl_crystal_F_000             832.0
_pd_char_colour                  Gray
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        119.987
_pd_meas_2theta_range_min        10.007
_pd_meas_number_of_points        7779
_pd_meas_scan_method             step
_pd_prep_pressure                101
_pd_prep_temperature             1273
_pd_proc_ls_background_function  '6 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.024
_pd_proc_ls_prof_wR_expected     0.0125
_pd_proc_ls_prof_wR_factor       0.032
_pd_spec_mounting                ' ?'
_pd_spec_shape                   irregular
_refine_ls_number_constraints    4
_refine_ls_number_parameters     46
_refine_ls_number_restraints     0
_cod_data_source_file            c0sc00348d.txt
_cod_data_source_block           compouind
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        450.757(6)
_cod_database_code               1515831