Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd) Prepared by Thermal Decomposition of Polyoxomolybdate Precursor [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O
Haruo Naruke; Toshihiro Yamase; Inorganic Chemistry 41 (2002) 6514–6520; doi:10.1021/ic025697z

data_4318936
_publ_contact_author_address
; Chemical Resources Laboratory
Tokyo Institute of Technology
4259 Nagatsuta, Midori-ku, Yokohama 226-8503
Japan
;
_publ_contact_author_email       ' hnaruke@res.titech.ac.jp'
_publ_contact_author_fax         ' +81-(0)45-924-5276 '
_publ_contact_author_name        ' Haruo Naruke'
_publ_contact_author_phone       ' +81-(0)45-924-5271 '
_publ_section_title
;
 Structures of Novel R~2~Mo~5~O~18~ and R~6~Mo~12~O~45~ (R= Eu and Gd)
 Prepared by Thermal Decomposition of Polyoxomolybdate Precursor
 [R~2~(H~2~O)~12~Mo~8~O~27~].nH~2~O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6514
_journal_page_last               6520
_journal_paper_doi               10.1021/ic025697z
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'Gd2 Mo5 O18 '
_chemical_formula_sum            'Gd2 Mo5 O18'
_chemical_formula_weight         1082.19
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.246(1)
_cell_length_b                   9.4414(5)
_cell_length_c                   9.3446(4)
_cell_measurement_reflns_used    16059
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     1698.00(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.11'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16536
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    11.366
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_correction_T_min  0.739
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Higashi, 1999a,b)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.95
_refine_diff_density_min         -2.22
_refine_ls_extinction_coef       0.00089(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   0.812
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1945
_refine_ls_R_factor_gt           0.0166
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.02000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0394
_reflns_number_gt                1687
_reflns_number_total             1945
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic025697z_3.cif
_cod_data_source_block           gd2mo5
_cod_original_cell_volume        1698.0(3)
_cod_original_formula_sum        'Gd2 Mo5 O18 '
_cod_database_code               4318936