Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure.
Charkin, Dmitri O.; Demchyna, Roman; Prots, Yurii; Borrmann, Horst; Burkhardt, Ulrich; Schwarz, Ulrich; Schnelle, Walter; Plokhikh, Igor V.; Kazakov, Sergey M.; Abakumov, Artem M.; Batuk, Dmitry; Verchenko, Valery Yu; Tsirlin, Alexander A.; Curfs, Caroline; Grin, Yuri; Shevelkov, Andrei V.; Inorganic chemistry 53 (2014) 11173–11184; doi:10.1021/ic5017615

data_4341171
_publ_section_title
;
 Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety
 of the BaHg11 Structure.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11173
_journal_page_last               11184
_journal_paper_doi               10.1021/ic5017615
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'As23 Cu44 Sr7'
_chemical_formula_weight         5132.26
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2014-07-10T12:00:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.7467(2)
_cell_length_b                   16.7467(2)
_cell_length_c                   16.7467(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      40.06
_cell_measurement_theta_min      13.01
_cell_volume                     4696.64(10)
_computing_cell_refinement       'WinCSD (Akselrud,2014)'
_computing_structure_refinement  'WinCSD (Akselrud,2014)'
_diffrn_ambient_temperature      295
_diffrn_detector_type            'Si (111) crystal analyzer'
_diffrn_measurement_method       Debye-Scherrer
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.39996
_diffrn_source                   Synchrotron
_exptl_absorpt_coefficient_mu    10.4
_exptl_crystal_density_diffrn    7.25
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9204
_pd_char_colour                  grey
_pd_char_particle_morphology     'particle size <= 0.032 mm'
_pd_instr_location
; ?
High-resolution powder diffractometer instrument belonging to the 
ID31 beam line at the 
European Synchrotron Radiation Facility (ESRF), Grenoble, France.
;
_pd_meas_2theta_range_inc        0.002
_pd_meas_2theta_range_max        40.000
_pd_meas_2theta_range_min        1.002
_pd_meas_number_of_points        19499
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.002
_pd_proc_2theta_range_max        40.000
_pd_proc_2theta_range_min        1.002
_pd_proc_ls_background_function  'square polynomial for each range'
_pd_proc_ls_pref_orient_corr
;
?
;
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.088
_pd_proc_ls_prof_wR_expected     0.063
_pd_proc_ls_prof_wR_factor       0.115
_pd_proc_wavelength              0.39996
_pd_spec_mounting                'sealed quartz capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              10
_pd_spec_size_equat              0.3
_pd_spec_size_thick              0.3
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.85
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     27
_refine_ls_R_I_factor            0.025
_refine_ls_shift/su_max          0.01
_refine_ls_weighting_details     1/[Y~i~+\s(Y~i~)]
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic5017615_si_003.cif
_cod_data_source_block           ST_Sr7Cu44As23
_cod_depositor_comments
'Adding full bibliography for 4341171--4341173.cif.'
_cod_original_cell_volume        4696.64(12)
_cod_database_code               4341171