Effect of Transition Metal Substitution on the Structure and Properties of a Clathrate-Like Compound Eu7Cu44As23
Plokhikh, Igor; Charkin, Dmitri; Verchenko, Valeriy; Ignatyev, Ivan; Kazakov, Sergey; Sobolev, Alexey; Presniakov, Igor; Tsirlin, Alexander; Shevelkov, Andrei; Materials 9 (2016) 587–; doi:10.3390/ma9070587

data_1543850
_publ_section_title
;
 Effect of Transition Metal Substitution on the Structure and Properties
 of a Clathrate-Like Compound Eu7Cu44As23
;
_journal_issue                   7
_journal_name_full               Materials
_journal_page_first              587
_journal_paper_doi               10.3390/ma9070587
_journal_volume                  9
_journal_year                    2016
_chemical_formula_analytical     NO
_chemical_formula_iupac          'Eu7 Cu22 Ni12 As23'
_chemical_formula_moiety         'Eu7 Cu22 Ni12 As23'
_chemical_formula_structural     'Eu7 Cu22 Ni12 As23'
_chemical_formula_sum            'As23 Cu25.186 Eu7 Ni18.814'
_chemical_formula_weight         5491.6
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.48300(7)
_cell_length_b                   16.48300(7)
_cell_length_c                   16.48300(7)
_cell_measurement_reflns_used    186
_cell_measurement_temperature    293
_cell_measurement_theta_max      55
_cell_measurement_theta_min      2.5
_cell_volume                     4478.25(3)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Powder Xpert'
_diffrn_measurement_device_type  'powder diffractometer'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Powder Xpert'
_exptl_absorpt_coefficient_mu    108.166
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.1451
_exptl_crystal_F_000             9831
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        109.991
_pd_meas_2theta_range_min        5.017
_pd_meas_number_of_points        7996
_pd_proc_2theta_range_inc        0.013
_pd_proc_2theta_range_max        109.991
_pd_proc_2theta_range_min        5.017
_pd_proc_ls_background_function  'Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Lorentzian
_pd_proc_ls_prof_R_factor        0.0151
_pd_proc_ls_prof_wR_expected     0.0144
_pd_proc_ls_prof_wR_factor       0.0199
_refine_diff_density_max         1.66
_refine_diff_density_min         -1.40
_refine_ls_goodness_of_fit_all   1.38
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.0391
_refine_ls_shift/su_mean         0.0152
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0216
_refine_ls_wR_factor_gt          0.0209
_cod_data_source_file            7-44-23_Ni12.cif
_cod_data_source_block           I
_cod_database_code               1543850