Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.
Abakumov, Artem M.; Morozov, Vladimir A.; Tsirlin, Alexander A.; Verbeeck, Johan; Hadermann, Joke; Inorganic chemistry  (2014) 140821103327002–; doi:10.1021/ic5015412

data_4344204
_publ_section_title
;
 Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in
 Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              140821103327002
_journal_paper_doi               10.1021/ic5015412
_journal_year                    2014
_chemical_formula_sum            'Ca Eu2 Mo4 O16'
_chemical_formula_weight         983.7
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.238670(10)
_cell_length_b                   5.238670(10)
_cell_length_c                   11.54843(2)
_cell_measurement_temperature    293
_cell_modulation_dimension       2
_cell_volume                     316.9312(10)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.39996
_exptl_absorpt_coefficient_mu    7.434
_exptl_crystal_density_diffrn    5.1526
_exptl_crystal_F_000             442
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.002
_pd_meas_2theta_range_max        40.000
_pd_meas_2theta_range_min        1.002
_pd_meas_number_of_points        19500
_pd_proc_2theta_range_inc        0.002
_pd_proc_2theta_range_max        40
_pd_proc_2theta_range_min        2.204
_pd_proc_ls_background_function  '20 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0823
_pd_proc_ls_prof_wR_expected     0.0729
_pd_proc_ls_prof_wR_factor       0.1133
_refine_ls_goodness_of_fit_all   1.55
_refine_ls_number_constraints    4
_refine_ls_number_parameters     57
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.0964
_refine_ls_shift/su_mean         0.0841
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0472
_refine_ls_wR_factor_gt          0.0472
_cod_data_source_file            ic5015412_si_003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to /home/saulius/struct/CIF-dictionaries/IUCr/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.5 from 2014-11-21.

Automatic conversion script
Id: cif_fix_values 3866 2015-08-17 15:13:47Z robertas 

The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca1 Eu2 Mo4 O16'
_cod_database_code               4344204