Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3
Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.; Chemistry of Materials 23 (2011) 5168–; doi:10.1021/cm201830e

data_4000813
_publ_section_title
;
 Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer
 Layer, (In1-xAlx)2S3
;
_journal_issue                   23
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5168
_journal_paper_doi               10.1021/cm201830e
_journal_volume                  23
_journal_year                    2011
_chemical_formula_moiety         'In2 S3'
_chemical_formula_sum            'In2 S3'
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_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   7.6205(2)
_cell_length_c                   32.3603(7)
_cell_measurement_reflns_used    rre
_cell_measurement_temperature    293
_cell_volume                     1879.23(8)
_computing_cell_refinement       unknown
_computing_data_collection       unknown
_computing_data_reduction        unknown
_computing_molecular_graphics    unknown
_computing_structure_solution    unknown
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0489
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_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
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_exptl_absorpt_coefficient_mu    10.946
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'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
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_exptl_crystal_size_min          0.067
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_refine_diff_density_min         -1.33
_refine_ls_extinction_coef       320(70)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.16
_refine_ls_goodness_of_fit_ref   1.17
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.001936I^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                1196
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cm201830e_si_002.cif
_cod_data_source_block           I
_cod_original_cell_volume        1879.22(8)
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               4000813