A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill; Chemistry of Materials 27 (2015) 588–; doi:10.1021/cm5041612

data_4002153
_publ_section_title
;
 A Solution for Solution-Produced \b-FeSe: Elucidating and Overcoming
 Factors that Prevent Superconductivity
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              588
_journal_paper_doi               10.1021/cm5041612
_journal_volume                  27
_journal_year                    2015
_chemical_formula_sum            'Fe0.925 Se'
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_chemical_name_systematic        ' ?'
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_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.78372(13)
_cell_length_b                   3.78372(13)
_cell_length_c                   5.5120(3)
_cell_measurement_temperature    293
_cell_volume                     78.913(6)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.413685
_exptl_absorpt_coefficient_mu    7.067
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_exptl_crystal_F_000             116
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.001
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_pd_proc_ls_background_function  '30 Legendre polynoms'
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_refine_ls_goodness_of_fit_all   0.99
_refine_ls_number_constraints    1
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0651
_refine_ls_shift/su_max          0.0109
_refine_ls_shift/su_mean         0.0016
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0605
_refine_ls_wR_factor_gt          0.0603
_cod_data_source_file            cm5041612_si_004.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4002151--4002154.cif.
;
_cod_original_cell_volume        78.913(5)
_cod_original_sg_symbol_Hall     '-P 4a;-2a'
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Fe0.925 Se1'
_cod_database_code               4002153