The scheelite-type europium molybdate Eu~0.96~MoO~4~
Gall, P.; Gougeon, P.; Acta Crystallographica Section E 62 (2006) i120–i121; doi:10.1107/S1600536806012803

data_2209033
_publ_section_title
;
 The scheelite-type europium molybdate Eu~0.96~MoO~4~
;
_journal_coeditor_code           WM2012
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i120
_journal_page_last               i121
_journal_paper_doi               10.1107/S1600536806012803
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Eu0.96 Mo O4'
_chemical_formula_moiety         'Eu0.96 Mo O4'
_chemical_formula_structural     'Eu0.96 Mo O4'
_chemical_formula_sum            'Eu0.96 Mo O4'
_chemical_formula_weight         305.82
_chemical_name_systematic
;
Europium molybdate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3875(2)
_cell_length_b                   5.3875(2)
_cell_length_c                   11.9811(4)
_cell_measurement_reflns_used    751
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.29
_cell_measurement_theta_min      4.15
_cell_volume                     347.75(2)
_computing_cell_refinement       COLLECT
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'EvalCCD (Duisenberg <i>et al.</i>,  2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6132
_diffrn_reflns_theta_full        44.00
_diffrn_reflns_theta_max         44.00
_diffrn_reflns_theta_min         4.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.605
_exptl_absorpt_correction_T_max  0.5278
_exptl_absorpt_correction_T_min  0.3784
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaar & Tompa, 1965)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.055
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.825
_refine_ls_extinction_coef       0.0073(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_reflns         686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0158
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0087P)^2^+0.6855P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0265
_refine_ls_wR_factor_ref         0.0306
_reflns_number_gt                506
_reflns_number_total             686
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2012.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2209033
_cod_database_fobs_code          2209033