Four-Dimensional Incommensurate Modulation and Luminescent Properties of Host Material Na3La(PO4)2.
Zhao, Dan; Ma, Fa-Xue; Ma, Shu-Qi; Zhang, Ai-Yun; Nie, Cong-Kui; Huang, Min; Zhang, Lei; Fan, Yun-Chang; Inorganic chemistry 56 (2017) 1835–1845; doi:10.1021/acs.inorgchem.6b02241

data_4345164
_publ_section_title
;
 Four-Dimensional Incommensurate Modulation and Luminescent Properties of
 Host Material Na3La(PO4)2.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1835
_journal_page_last               1845
_journal_paper_doi               10.1021/acs.inorgchem.6b02241
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'La Na3 O8 P2'
_chemical_formula_weight         397.8
_space_group_IT_number           29
_space_group_ssg_name            Pca21(0\b0)000
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.0830(4)
_cell_length_b                   5.3517(11)
_cell_length_c                   18.7291(14)
_cell_measurement_reflns_used    1497
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.86
_cell_measurement_theta_min      2.53
_cell_modulation_dimension       1
_cell_volume                     1411.6(3)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II CCD'
_computing_data_reduction        'Bruker APEX II'
_computing_molecular_graphics    Jana2006
_computing_publication_material  Jana2006
_computing_structure_refinement  Jana2006
_computing_structure_solution    supreflip
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0804
_diffrn_reflns_av_unetI/netI     0.062
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_diffrn_reflns_limit_index_m_1_max 2
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_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            65382
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2
_exptl_absorpt_coefficient_mu    6.703
_exptl_absorpt_correction_T_max  0.572
_exptl_absorpt_correction_T_min  0.405
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.7438
_exptl_crystal_description       prism
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -1.57
_refine_ls_abs_structure_details
'  8483 of Friedel pairs used in the refinement'
_refine_ls_extinction_coef       3140(50)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.36
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_number_constraints    1
_refine_ls_number_parameters     532
_refine_ls_number_reflns         17514
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.0097
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0403
_refine_ls_wR_factor_ref         0.0462
_reflns_number_gt                7925
_reflns_number_total             17514
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic6b02241_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 4345164.cif.'
_cod_original_formula_sum        'La1 Na3 O8 P2'
_cod_database_code               4345164
_publcif_datablock.id            {20416844-8128-4e14-96f5-98bab98ecc3e}
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