Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type
Oswald, Iain W.H.; Gourdon, Olivier; Bekins, Amy; Evans, Jess; Treadwell, LaRico J.; Chan, Julia Y.; Macaluso, Robin T.; Journal of Solid State Chemistry 242 (2016) 161–167; doi:10.1016/j.jssc.2016.04.009

data_1561378
_publ_section_title
;
 Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               167
_journal_paper_doi               10.1016/j.jssc.2016.04.009
_journal_volume                  242
_journal_year                    2016
_chemical_absolute_configuration .
_chemical_formula_sum            'Er0.341 Ga2.005 Pt0.75'
_chemical_formula_weight         343.1
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.010(2)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   7.4879(2)
_cell_length_b                   12.9612(3)
_cell_length_c                   13.1060(4)
_cell_measurement_reflns_used    6136
_cell_measurement_temperature    297
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      3.2
_cell_volume                     1248.55(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_molecular_graphics    CrystalMaker
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  JANA2006
_diffrn_ambient_temperature      297
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.95
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa D8 Quest CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'HELIOS optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'I\mS microfocus tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34559
_diffrn_reflns_theta_full        32.82
_diffrn_reflns_theta_max         33.54
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    89.175
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    10.9526
_exptl_crystal_description       Fragment
_exptl_crystal_F_000             3452
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_ls_extinction_coef       390(20)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    3.37
_refine_ls_goodness_of_fit_ref   2.93
_refine_ls_number_constraints    0
_refine_ls_number_parameters     128
_refine_ls_number_reflns         2426
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.0097
_refine_ls_shift/su_mean         0.0008
_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          0.0738
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                1711
_reflns_number_total             2426
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2016-242-161.cif
_cod_data_source_block           I
_cod_database_code               1561378