Synthesis, crystal structure, and luminescence properties of a new europium silicate.
Liu, Wei; Ji, Ying; Wang, Ying; Sun, Qiushi; Zhao, Xudong; Liu, Xiaoyang; Jia, Xiaopeng; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9631–9635; doi:10.1039/c6dt01174h

data_7039273
_publ_section_title
;
 Synthesis, crystal structure, and luminescence properties of a new
 europium silicate.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9631
_journal_page_last               9635
_journal_paper_doi               10.1039/c6dt01174h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'Eu2 H4 Na2 O18 Si6'
_chemical_formula_weight         810.47
_chemical_name_systematic
; 
 ? 
;
_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_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-24 deposited with the CCDC.
2016-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                102.381(5)
_cell_angle_beta                 95.387(6)
_cell_angle_gamma                90.552(6)
_cell_formula_units_Z            1
_cell_length_a                   7.056(3)
_cell_length_b                   7.075(3)
_cell_length_c                   8.029(3)
_cell_measurement_reflns_used    1978
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.049
_cell_measurement_theta_min      5.881
_cell_volume                     389.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  CCD
_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  0.0110
_diffrn_reflns_av_sigmaI/netI    0.0209
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2165
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    8.594
_exptl_absorpt_correction_T_max  0.461
_exptl_absorpt_correction_T_min  0.404
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.455
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             380
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.947
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1514
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.259
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0504
_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^)+(0.0000P)^2^+14.5318P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1177
_reflns_number_gt                1495
_reflns_number_total             1514
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01174h2.cif
_cod_data_source_block           92-15rs
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039273.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        ' Eu2 H4 Na2 O18 Si6'
_cod_database_code               7039273