Crystal structure of Eu2Pd3.37(1)Zn13.63(1)
Klenner, Steffen; Block, Theresa; Pöttgen, Rainer; Zeitschrift für Kristallographie - New Crystal Structures 238 (2023) 567–569; doi:10.1515/ncrs-2023-0091

data_8107496
_publ_section_title
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 Crystal structure of Eu2Pd3.37(1)Zn13.63(1)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              567
_journal_page_last               569
_journal_paper_doi               10.1515/ncrs-2023-0091
_journal_volume                  238
_journal_year                    2023
_chemical_absolute_configuration .
_chemical_formula_sum            'Eu2 Pd3.366 Zn13.634'
_chemical_formula_weight         1553.5
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.1693(7)
_cell_length_b                   9.1693(7)
_cell_length_c                   13.2443(13)
_cell_measurement_temperature    293
_cell_volume                     964.34(14)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0089
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9175
_diffrn_reflns_theta_full        33.34
_diffrn_reflns_theta_max         33.34
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    39.0
_exptl_crystal_density_diffrn    8.02
_exptl_crystal_F_000             2070
_refine_diff_density_max         1.12
_refine_diff_density_min         -0.78
_refine_ls_extinction_coef       315(13)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.01
_refine_ls_goodness_of_fit_ref   0.99
_refine_ls_number_constraints    10
_refine_ls_number_parameters     26
_refine_ls_number_reflns         488
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0119
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0268
_refine_ls_wR_factor_ref         0.0287
_reflns_number_gt                417
_reflns_number_total             488
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            suppl_j_ncrs-2023-0091_suppl_001.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_Hall     '-R 3;-2"'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               8107496