Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a Series of Mixed Metal Borotellurates.
Feng, Jiang-He; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao; Inorganic chemistry 54 (2015) 2447–; doi:10.1021/ic503068s

data_4342405
_publ_section_title
;
 Na2RE2TeO4(BO3)2 (RE = Y, Dy-Lu): Luminescent and Structural Studies on a
 Series of Mixed Metal Borotellurates.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2447
_journal_paper_doi               10.1021/ic503068s
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'B2 Er2 Na2 O10 Te'
_chemical_formula_weight         689.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   nome
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.110(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.2964(5)
_cell_length_b                   9.9056(7)
_cell_length_c                   6.7089(6)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.3118
_cell_measurement_theta_min      3.1246
_cell_volume                     405.81(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2614
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    24.214
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75365
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    5.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.2212
_exptl_crystal_size_mid          0.1930
_exptl_crystal_size_min          0.1321
_refine_diff_density_max         1.588
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.341
_refine_ls_extinction_coef       0.0125(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    nome
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         824
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0273
_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^)+(0.0193P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0612
_reflns_number_gt                706
_reflns_number_total             824
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic503068s_si_002.cif
_cod_data_source_block           Na2Er2TeB2O10
_cod_depositor_comments
'Adding full bibliography for 4342402--4342408.cif.'
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4342405