Incommensurately modulated lanthanide coinage-metal diarsenides. II. GdCuAs~2~, GdAu~1{-~δ}As~2~ and TbAu~1{-~δ}As~2~ ‒ new distortion variants of the HfCuSi~2~ type with irregularly stacked zigzag chains of arsenic atoms
Rutzinger, D.; Bartsch, C.; Doert, Th.; Ruck, M.; Acta Crystallographica Section B 65 (2009) 527–534; doi:10.1107/S0108768109029565

data_2104421
_publ_section_title
;
 Incommensurately modulated lanthanide coinage-metal diarsenides. II.
 GdCuAs~2~, GdAu~1{-~\d}As~2~ and TbAu~1{-~\d}As~2~ -- new distortion
 variants of the HfCuSi~2~ type with irregularly stacked zigzag chains
 of arsenic atoms
;
_journal_coeditor_code           CK5036
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              527
_journal_page_last               534
_journal_paper_doi               10.1107/S0108768109029565
_journal_volume                  65
_journal_year                    2009
_chemical_formula_analytical     'As2 Au0.966 Tb1'
_chemical_formula_iupac          'As2 Au0.966 Tb1'
_chemical_formula_moiety         'As2 Au0.966 Tb1'
_chemical_formula_structural     'As2 Au0.966 Tb1'
_chemical_formula_sum            'As2 Au0.966 Tb'
_chemical_formula_weight         499.0
_chemical_name_common            'Terbium gold arsenide'
_chemical_name_systematic        ' ?'
_space_group_ssg_name            P21/m(\a0\g)00
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 90.0(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   10.1350(14)
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_cell_modulation_dimension       1
_cell_volume                     163.00(10)
_computing_cell_refinement       'X-AREA, STOE, 2006'
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_computing_data_reduction        'X-AREA, STOE, 2002'
_computing_molecular_graphics
;
DIAMOND-Visuelles Informationssystem f\"ur Kristallstrukturen
 (G. Bergerhoff, Bonn, 1999)
;
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
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'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
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_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
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_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0593
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_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
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_diffrn_reflns_limit_k_min       -5
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_diffrn_reflns_reduction_process
;
XShape (Stoe, 1999), XRed32 (Stoe, 2001)
;
_diffrn_reflns_theta_full        33.42
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_exptl_absorpt_correction_T_min  0.066
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            black
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_exptl_crystal_density_method    none
_exptl_crystal_description       platelet
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_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.011
_refine_diff_density_max         3.84
_refine_diff_density_min         -3.65
_refine_ls_extinction_coef       0.26(3)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   2.96
_refine_ls_number_parameters     78
_refine_ls_number_reflns         2101
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.0336
_refine_ls_shift/su_mean         0.0014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                1092
_reflns_number_total             2101
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ck5036.cif
_cod_data_source_block           III
_cod_original_cell_volume        163.01(12)
_cod_original_formula_sum        'As2 Au0.966 Tb1'
_cod_database_code               2104421