Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared
Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo; Nature Communications 8 (2017) 14925–; doi:10.1038/ncomms14925

data_1547759
_publ_section_title
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 Structure and vacancy distribution in copper telluride nanoparticles
 influence plasmonic activity in the near-infrared
;
_journal_name_full               'Nature Communications'
_journal_page_first              14925
_journal_paper_doi               10.1038/ncomms14925
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety         'Te1 Cu1.5'
_chemical_formula_sum            'Cu0.25 Te0.1667'
_chemical_formula_weight         37.16
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            48
_cell_length_a                   7.510
_cell_length_b                   7.510
_cell_length_c                   7.510
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      0.840
_cell_measurement_theta_min      0.135
_cell_measurement_wavelength     0.02510
_cell_volume                     423.565
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device       JEOL_2100
_diffrn_measurement_method       RED
_diffrn_radiation_source         LaB6
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.02510
_diffrn_reflns_av_R_equivalents  0.2563
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       1
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_full        0.840
_diffrn_reflns_theta_max         0.840
_diffrn_reflns_theta_min         0.135
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_T_max  0.0000
_exptl_absorpt_correction_T_min  0.0000
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    6.994
_exptl_crystal_description       'cuboid nanocrystal'
_exptl_crystal_F_000             764
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.598
_refine_ls_goodness_of_fit_gt    1.598
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     6
_refine_ls_number_reflns         74
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.129
_refine_ls_R_factor_gt           0.129
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.125
_refine_ls_wR_factor_gt          0.125
_reflns_d_resolution_low         5.310
_cod_data_source_file            CuTe.cif
_cod_data_source_block           CuTe
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

'_refine_ls_matrix_type' value 'Full' changed to 'full' according to
the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        423.56
_cod_original_formula_sum        'Te0.1667 Cu0.25'
_cod_database_code               1547759