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_4341172
_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 Eu7'
_chemical_formula_weight         5582.64
_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'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-07-10T12:00:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6707(2)
_cell_length_b                   16.6707(2)
_cell_length_c                   16.6707(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      13.08
_cell_measurement_theta_min      40.80
_cell_volume                     4632.99(10)
_computing_cell_refinement       'CSD (Akselrud,2014)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2008)'
_computing_data_reduction        'FSProcess in Process-Auto (Rigaku, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295.15
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
scan:
    Number of images: 120
               Slice: 80.0000 -200.0000
         Image width: 1.0000
            Exp time: 640.0000
       Rotation axis: omega
                 Chi: 5.0000
                 Phi: -20.0000
                 XTD: 127.4
;
_diffrn_measurement_device       'Rigaku SPIDER'
_diffrn_measurement_method       oscillation
_diffrn_radiation_detector       'Image Plate area detector'
_diffrn_radiation_monochromator  'Rigaku VariMax-HF Confocal Optical System'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56085
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11486
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        28.87
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         2.73
_diffrn_source_current           20.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           60.0000
_exptl_absorpt_coefficient_mu    23.84
_exptl_absorpt_correction_T_max  0.787
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Blessing, R. H. (1995) Acta Cryst. A51, 33-38'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_density_diffrn    8.00
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             9904
_exptl_crystal_size_max          0.035
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.06
_refine_diff_density_min         -0.74
_refine_ls_extinction_coef       0.000055(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_reflns         686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.016
_refine_ls_R_factor_gt           0.013
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0069P)^2^+30.1168P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.024
_refine_ls_wR_factor_ref         0.024
_reflns_number_gt                628
_reflns_number_total             686
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5017615_si_001.cif
_cod_data_source_block           RD_3226a_sp
_cod_depositor_comments
'Adding full bibliography for 4341171--4341173.cif.'
_cod_original_cell_volume        4633.0(2)
_cod_database_code               4341172