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_4104916
_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            'K O7 Ta2 Y'
_chemical_formula_weight         601.89
_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             2009-06-30T16:13
_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            8
_cell_length_a                   10.4476(7)
_cell_length_b                   10.4476
_cell_length_c                   10.4476
_cell_volume                     1140.38(8)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.5
_diffrn_radiation_probe          x-ray
_pd_block_id                     2009-06-30T16:13|KYTA2O7-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           2009-06-30T16:13:11
_pd_proc_ls_background_function
;   GSAS Background function number 2 with  4 terms.
 Cosine Fourier series
      1:    148.906     2:    186.693     3:   -22.6279     4:    49.5117    
;
_pd_proc_ls_prof_R_factor        0.0925
_pd_proc_ls_prof_wR_expected     0.0485
_pd_proc_ls_prof_wR_factor       0.1265
_refine_ls_goodness_of_fit_all   2.61
_refine_ls_matrix_type           full
_refine_ls_number_parameters     15
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.05981
_refine_ls_shift/su_max          0.08
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            ja903823w_si_002_1.cif
_cod_data_source_block           KYTA2O7-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 (72 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 (500
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1140.39(21)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'K1.00 O7 Ta2 Y1.00'
_cod_database_code               4104916
_cod_database_fobs_code          4104916