Synthesis and characterization of new vanadates of antimony, ASbV2O8 (A = K, Rb, Tl or Cs) †
Devi, R. Nandini; Vidyasagar, K.; Journal of the Chemical Society, Dalton Transactions  (1998) 3013–; doi:10.1039/a802816h

data_7028141
_publ_section_title
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 Synthesis and characterization of new vanadates of antimony, ASbV2O8
 (A&#x2005;=&#x2005;K, Rb, Tl or Cs)&#x200A;&#x2020;
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_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3013
_journal_paper_doi               10.1039/a802816h
_journal_year                    1998
_chemical_formula_sum            'Cs O8 Sb V2'
_chemical_formula_weight         484.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 90.30(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.627(2)
_cell_length_b                   16.178(4)
_cell_length_c                   8.400(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     764.7(6)
_computing_cell_refinement       'CAD4 programs'
_computing_data_collection       'CAD4 programs'
_computing_data_reduction        MOLEN
_computing_molecular_graphics    ORTEP92
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD4'
_diffrn_measurement_method       2theta-omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
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_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  '1 hour'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    10.563
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
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_exptl_crystal_description       'rectangular blocks'
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_exptl_crystal_size_max          0.3
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_refine_diff_density_min         -1.867
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_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+37.0107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1262
_refine_ls_wR_factor_obs         0.1254
_reflns_number_observed          1308
_reflns_number_total             1345
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            h802816sup1.cif
_cod_data_source_block           cs
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+37.0107P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+37.0107P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        764.6(6)
_cod_database_code               7028141