The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3
Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati; Journal of Solid State Chemistry 184 (2011) 2322–2328; doi:10.1016/j.jssc.2011.06.018

data_1563181
_publ_section_title
;
 The crystal structure of Yb2(SO4)3&#x00B7;3H2O and its decomposition
 product, \b-Yb2(SO4)3
;
_journal_issue                   9
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2322
_journal_page_last               2328
_journal_paper_doi               10.1016/j.jssc.2011.06.018
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'O48 S12 Yb8'
_chemical_formula_weight         2537.16
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   18.1958
_cell_length_b                   18.1958
_cell_length_c                   22.2853
_cell_measurement_temperature    293
_cell_volume                     6389.861
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.1534
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            50047
_diffrn_reflns_theta_full        42.27
_diffrn_reflns_theta_max         42.27
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    12.066
_exptl_crystal_density_diffrn    2.6363
_exptl_crystal_F_000             6816
_refine_ls_extinction_coef       90(30)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    2.77
_refine_ls_goodness_of_fit_ref   2.15
_refine_ls_number_constraints    1
_refine_ls_number_parameters     96
_refine_ls_number_reflns         16361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1483
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          9.1478
_refine_ls_shift/su_mean         1.5614
_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          0.0776
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                8944
_reflns_number_total             16361
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2011-184-2322.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     'R 3;-2"c'
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               1563181