Lithium europium(III) molybdate(VI), Li~3.5~Eu~1.5~(MoO~4~)~4~
Zhao, Dan; Zhu, Jing; Liang, Peng; Chang, Huan; He, Rong; Acta Crystallographica Section E 68 (2012) i14–; doi:10.1107/S1600536812000268

data_2233615
_publ_section_title
;
 Lithium europium(III) molybdate(VI), Li~3.5~Eu~1.5~(MoO~4~)~4~
;
_journal_coeditor_code           RU2018
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i14
_journal_paper_doi               10.1107/S1600536812000268
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'Li3.5 Eu1.5 (Mo O4)4'
_chemical_formula_moiety         'Eu1.50 Li3.50 Mo4 O16'
_chemical_formula_sum            'Eu1.5 Li3.5 Mo4 O16'
_chemical_formula_weight         891.99
_chemical_name_systematic
;
Lithium europium(III) molybdate(VI)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.09(2)
_cell_angle_beta                 100.341(15)
_cell_angle_gamma                111.891(15)
_cell_formula_units_Z            1
_cell_length_a                   5.2182(11)
_cell_length_b                   6.7008(12)
_cell_length_c                   10.3167(5)
_cell_measurement_reflns_used    791
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0801
_cell_volume                     317.49(11)
_computing_cell_refinement       '<i>CrystalClear</i> (Rigaku, 2004)'
_computing_data_collection       '<i>CrystalClear</i> (Rigaku, 2004)'
_computing_data_reduction        '<i>CrystalClear</i> (Rigaku, 2004)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg, 2004)'
_computing_publication_material
'<i>SHELXTL</i> (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Mercury70 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0143
_diffrn_reflns_av_sigmaI/netI    0.0214
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2478
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    11.222
_exptl_absorpt_correction_T_max  0.6038
_exptl_absorpt_correction_T_min  0.2125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>ABSCOR</i>; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             401
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.951
_refine_diff_density_min         -1.615
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_reflns         1437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+1.5273P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                1224
_reflns_number_total             1437
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ru2018.cif
_cod_data_source_block           I
_cod_original_cell_volume        317.49(9)
_cod_original_formula_sum        'Eu1.50 Li3.50 Mo4 O16'
_cod_database_code               2233615
_cod_database_fobs_code          2233615