Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors
May Nyman; Mark A. Rodriguez; Lauren E. Shea-Rohwer; James E. Martin; Paula P. Provencio; Journal of the American Chemical Society 131 (2009) 11652–11653; doi:10.1021/ja903823w

data_4104919
_publ_section_title
;
 Highly Versatile Rare Earth Tantalate Pyrochlore Nanophosphors
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11652
_journal_page_last               11653
_journal_paper_doi               10.1021/ja903823w
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'Gd0.5 K0.33 O3.42 Ta'
_chemical_formula_weight         327.27
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_audit_creation_date             2009-06-22T17:52
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.53833(11)
_cell_length_b                   10.53833
_cell_length_c                   10.53833
_cell_volume                     1170.349(12)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2009-06-22T17:52|KGDTA2O7-SI_phase1|||
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        90.0
_pd_meas_2theta_range_min        5.0
_pd_phase_name                   KGdTa2O7
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        90.0
_pd_proc_2theta_range_min        5.0
_pd_proc_info_datetime           2009-06-22T17:52:03
_pd_proc_ls_background_function
;   GSAS Background function number 2 with  4 terms.
 Cosine Fourier series
      1:   -150.833     2:    716.866     3:   -313.367     4:    163.543    
;
_pd_proc_ls_prof_R_factor        0.0739
_pd_proc_ls_prof_wR_expected     0.0478
_pd_proc_ls_prof_wR_factor       0.0970
_refine_ls_goodness_of_fit_all   2.03
_refine_ls_matrix_type           full
_refine_ls_number_parameters     13
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.08787
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ja903823w_si_004_1.cif
_cod_data_source_block           KGDTA2O7-SI_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (100 times).

'_geom_angle_publ_flag' value 'N'
changed to 'n' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (667
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1170.35(4)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Gd0.50 K0.33 O3.42 Ta'
_cod_database_code               4104919
_cod_database_fobs_code          4104919