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_4341173
_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 Eu5.74 Sr1.26'
_chemical_formula_weight         5501.90
_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                   16.6767(5)
_cell_length_b                   16.6767(5)
_cell_length_c                   16.6767(5)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      5.30
_cell_measurement_theta_min      42.75
_cell_volume                     4638.0(2)
_computing_cell_refinement       'CSD (Akselrud,2014)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2008)'
_computing_structure_refinement  'CSD (Akselrud,2014)'
_diffrn_ambient_temperature      295.15
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
scan:
    Number of images: 600
               Slice: 0.0000 - 360.0000
         Image width: 0.6000
            Exp time: 50.0000
       Rotation axis: Phi
               Omega: -30.0000
                 Chi: -10.0000
                 Phi: 0.0000
                 XTD: 48.2900
              2theta: -25.0000
;
_diffrn_measurement_device       'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11099
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        32.48
_diffrn_reflns_theta_max         32.48
_diffrn_reflns_theta_min         2.12
_diffrn_source_current           38.0000
_diffrn_source_power             1.9000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    45.16
_exptl_absorpt_correction_T_max  0.508
_exptl_absorpt_correction_T_min  0.159
_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    7.92
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             9779
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.64
_refine_ls_extinction_coef       0.000008(1)
_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   1.410
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_reflns         437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.410
_refine_ls_R_factor_all          0.043
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     1/[\s(F~o~)^2^]0^.^F~o~)]
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.074
_refine_ls_wR_factor_ref         0.074
_reflns_number_gt                437
_reflns_number_total             473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5017615_si_002.cif
_cod_data_source_block           RD_5006b_sp
_cod_depositor_comments
'Adding full bibliography for 4341171--4341173.cif.'
_cod_original_cell_volume        4637.9(4)
_cod_database_code               4341173