Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K
Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua; Acta Crystallographica Section C 65 (2009) i74–i76; doi:10.1107/S0108270109028856

data_2017322
_publ_section_title
;
 Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and
 neutron powder diffraction study at 530 K
;
_journal_coeditor_code           FA3187
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i74
_journal_page_last               i76
_journal_paper_doi               10.1107/S0108270109028856
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'Zr W1.80 V0.20 O7.90'
_chemical_formula_moiety         'Zr W1.80 V0.20 O7.90'
_chemical_formula_sum            'O7.9 V0.2 W1.8 Zr'
_chemical_formula_weight         558.73
_chemical_name_systematic
;
zirconium vanadium tungstate
;
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.11787(6)
_cell_length_b                   9.11787(6)
_cell_length_c                   9.11787(6)
_cell_measurement_temperature    530
_cell_volume                     758.019(9)
_exptl_crystal_density_diffrn    4.896
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  yellow
_pd_char_particle_morphology     powder
_pd_phase_name                   'Zr W1.8 V0.2 O7.9'
_pd_proc_ls_prof_R_factor        0.0385
_pd_proc_ls_prof_wR_factor       0.0577
_refine_ls_goodness_of_fit_all   2.49
_refine_ls_number_parameters     51
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.03
_cod_data_source_file            fa3187.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
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'_geom_angle_publ_flag' value 'N' changed to 'n' according to
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Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (19
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (51 time).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        758.02(2)
_cod_original_formula_sum        'O7.90 V0.20 W1.80 Zr'
_cod_database_code               2017322