On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y, La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and optical and magnetic properties.
Hämmer, Matthias; Janka, Oliver; Bönnighausen, Judith; Klenner, Steffen; Pöttgen, Rainer; Höppe, Henning A; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8209–8225; doi:10.1039/d0dt00782j

data_7704461
_publ_section_title
;
 On the phosphors Na<sub>5</sub>M(WO<sub>4</sub>)<sub>4</sub> (M = Y,
 La-Nd, Sm-Lu, Bi) - crystal structures, thermal decomposition, and
 optical and magnetic properties.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8209
_journal_page_last               8225
_journal_paper_doi               10.1039/d0dt00782j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'Na5 O16 Gd1 W4'
_chemical_formula_structural     'Na5 Gd (W O4)4'
_chemical_formula_sum            'Gd Na5 O16 W4'
_chemical_formula_weight         1263.60
_chemical_name_structure_type    Na5Lu(WO4)4
_chemical_name_systematic        'pentasodium gadolinium tetratungstate'
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-02-27 deposited with the CCDC.	2020-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4796(4)
_cell_length_b                   11.4796(4)
_cell_length_c                   11.3779(4)
_cell_measurement_reflns_used    23034
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      40.496
_cell_measurement_theta_min      2.520
_cell_volume                     1499.39(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'D8 Venture Bruker'
_diffrn_measurement_method       'generic phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23034
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         40.496
_diffrn_reflns_theta_min         2.520
_exptl_absorpt_coefficient_mu    35.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 multi-scan absorption correction using SADABS 
(G. M. Sheldrick, (1996). SADABS. Program for Empirical 
Absorption Correction. University of G\"ottingen, Germany.)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.598
_exptl_crystal_description       block
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   0.7492
_exptl_transmission_factor_min   0.5701
_refine_diff_density_max         2.049
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.370
_refine_ls_extinction_coef       0.00036(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         2397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0114P)^2^+6.0365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0341
_refine_ls_wR_factor_ref         0.0349
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2116
_reflns_number_total             2397
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00782j2.cif
_cod_data_source_block           Na5Gd(WO4)4
_cod_depositor_comments
'Adding full bibliography for 7704452--7704470.cif.'
_cod_original_cell_volume        1499.39(12)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7704461
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              78104