SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data
Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B.; Acta Crystallographica Section C 51 (1995) 1723–1725; doi:10.1107/S0108270195004264

data_2003880
_publ_section_title
;
 SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction
 Data
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1723
_journal_page_last               1725
_journal_paper_doi               10.1107/S0108270195004264
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Sr Ta4 O11'
_chemical_formula_sum            'O11 Sr Ta4'
_chemical_formula_weight         987.42
_chemical_name_systematic
;
SrTa4O11
;
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   6.2543(1)
_cell_length_b                   6.2543(1)
_cell_length_c                   12.3320(3)
_cell_measurement_reflns_used    61
_cell_measurement_temperature    295
_cell_measurement_theta_max      77.5
_cell_measurement_theta_min      2.5
_cell_volume                     417.755(14)
_computing_structure_refinement  'DBW3.2 version 8804'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Petten High Flux reactor diffractometer'
_diffrn_radiation_monochromator  'Cu (111)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source
;
High-Flux Reactor Petten, The Netherlands
;
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     2.57167(7)
_diffrn_reflns_number            61
_diffrn_reflns_theta_max         77.5
_diffrn_reflns_theta_min         2.5
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    7.850(1)
_exptl_crystal_description       powder
_exptl_crystal_F_000             '196.99 fm'
_refine_ls_goodness_of_fit_all   1.79
_refine_ls_number_parameters     27
_refine_ls_number_reflns         61
_refine_ls_R_factor_all          .0243
_refine_ls_shift/esd_max         0.3
_refine_ls_wR_factor_all         .0310
_reflns_number_total             61
_cod_data_source_file            cr1170.cif
_cod_data_source_block           TOZ
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        417.76(2)
_cod_original_sg_symbol_Hall     'P 6C 2 (003)'
_cod_original_formula_sum        'Sr Ta4 O11'
_cod_database_code               2003880