K3[TbxEu1-xGe3O8(OH)2] (x= 1, 0.88, 0.67, 0): 2D-Layered Lanthanide Germanates with Tunable Photoluminescent Properties
Xi Wang; Yu Wang; Qiong Liu; Yi Li; Jihong Yu; Ruren Xu; Inorganic Chemistry 51 (2012) 4779–4783; doi:10.1021/ic3005129

data_4329008
_publ_section_title
;
 K3[TbxEu1-xGe3O8(OH)2] (x= 1, 0.88, 0.67, 0): 2D-Layered Lanthanide
 Germanates with Tunable Photoluminescent Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4779
_journal_page_last               4783
_journal_paper_doi               10.1021/ic3005129
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'Eu0.5 Ge1.5 H K1.5 O5'
_chemical_formula_weight         324.52
_chemical_name_common            EuGeO-JU-87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.7053(7)
_cell_length_b                   13.7236(7)
_cell_length_c                   6.1051(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1148.28(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            7894
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    14.288
_exptl_absorpt_correction_T_max  0.4311
_exptl_absorpt_correction_T_min  0.2041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.754
_exptl_crystal_description       plate
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.943
_refine_diff_density_min         -1.036
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         1491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0212P)^2^+4.9108P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0583
_reflns_number_gt                1245
_reflns_number_total             1491
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3005129_si_002.cif
_cod_data_source_block           pnma
_cod_original_formula_sum        'Eu0.50 Ge1.50 H K1.50 O5'
_cod_database_code               4329008