Synthesis, crystal structure and optical investigation of the new phosphates: Na7Mg13Ln(PO4)12 (Ln=La, Eu)
Jerbi, Hasna; Hidouri, Mourad; Glorieux, Benoit; Darriet, Jacques; Garcia, Alain; Jubera, Véronique; Ben Amara, Mongi; Journal of Solid State Chemistry 183 (2010) 1752–1760; doi:10.1016/j.jssc.2010.05.010

data_1563528
_publ_section_title
;
 Synthesis, crystal structure and optical investigation of the new
 phosphates: Na7Mg13Ln(PO4)12 (Ln=La, Eu)
;
_journal_issue                   8
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1752
_journal_page_last               1760
_journal_paper_doi               10.1016/j.jssc.2010.05.010
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Eu Mg13 Na7 O48 P12'
_chemical_formula_weight         1768.56
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c 21'
_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            4
_cell_length_a                   10.275(9)
_cell_length_b                   15.446(2)
_cell_length_c                   23.386(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3712(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            3505
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    2.677
_exptl_crystal_density_diffrn    3.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3440
_refine_diff_density_max         1.107
_refine_diff_density_min         -1.176
_refine_diff_density_rms         0.201
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(9)
_refine_ls_extinction_coef       0.00093(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   1.120
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         3002
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0252
_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^)+(0.0283P)^2^+19.2374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0596
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                2856
_reflns_number_total             3002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-1752.cif
_cod_data_source_block           na7eu
_cod_original_sg_symbol_H-M      Cmc21
_cod_database_code               1563528