Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3
Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.; CrystEngComm 25 (2023) 1716–1722; doi:10.1039/D2CE01578A

data_7246422
_publ_section_title
;
 Synthesis, structures and magnetic properties of the Eu-based quaternary
 tellurides EuGdCuTe3 and EuLuCuTe3
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1716
_journal_page_last               1722
_journal_paper_doi               10.1039/D2CE01578A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'Cu Eu Gd Te3'
_chemical_formula_weight         755.55
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-02-24 deposited with the CCDC.	2023-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3761(7)
_cell_length_b                   4.3405(3)
_cell_length_c                   14.3469(9)
_cell_measurement_reflns_used    7661
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      0.41
_cell_volume                     708.42(8)
_computing_cell_refinement       'Denzo (W. Minor & Z. Otwinowski)'
_computing_data_collection       'Nonius Collect-Software'
_computing_data_reduction        'Denzo (W. Minor & Z. Otwinowski)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'four-circle, ccd-detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11982
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.465
_diffrn_reflns_theta_min         2.285
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    32.952
_exptl_absorpt_correction_T_max  0.8624
_exptl_absorpt_correction_T_min  0.4883
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'programs X-SHAPE and HABITUS by W. Herrendorf, Univ. Giessen, 1995'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.084
_exptl_crystal_description       needle
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.255
_refine_diff_density_min         -1.901
_refine_diff_density_rms         0.414
_refine_ls_extinction_coef       0.00136(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     38
_refine_ls_number_reflns         921
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0332P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                781
_reflns_number_total             921
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ce01578a1.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7246422--7246423.cif.'
_cod_database_code               7246422
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              77505
_shelx_hkl_checksum              61732