K~2~V~2~O~2~(AsO~4~)~2~
Belkhiri, Sabrina; Mezaoui, Djillali; Roisnel, Thierry; Acta Crystallographica Section E 68 (2012) i54–; doi:10.1107/S1600536812027183

data_2235598
_publ_section_title
;
 K~2~V~2~O~2~(AsO~4~)~2~
;
_journal_coeditor_code           RU2035
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i54
_journal_paper_doi               10.1107/S1600536812027183
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'K2 V2 O2 (As O4)2'
_chemical_formula_moiety         'K2 V2 O2 (As O4)2'
_chemical_formula_sum            'As2 K2 O10 V2'
_chemical_formula_weight         489.9
_chemical_name_systematic
;
dipotassium divanadium dioxide diarsenate
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5368(2)
_cell_length_b                   10.7228(5)
_cell_length_c                   13.0666(4)
_cell_measurement_reflns_used    5952
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      40.15
_cell_measurement_theta_min      3.48
_cell_volume                     915.87(6)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
'ATOMS (Dowty, 1994) and GRETEP (Laugier & Bochu, 2002)'
_computing_publication_material
'<i>JANA2006</i> (Pet\<r\'i\<cek <i>et al.</i>, 2006)'
_computing_structure_refinement
'<i>JANA2006</i> (Pet\<r\'i\<cek <i>et al.</i>, 2006)'
_computing_structure_solution
'(<i>SuperFlip</i> Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         40.15
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_exptl_absorpt_correction_T_max  0.107
_exptl_absorpt_correction_T_min  0.073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.5518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             920
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_refine_ls_abs_structure_details 'Flack (1983), 1256 Friedel pairs'
_refine_ls_abs_structure_Flack   0.387(8)
_refine_ls_extinction_coef       97E1(11)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
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_refine_ls_number_constraints    0
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_refine_ls_number_reflns         4169
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.0029
_refine_ls_shift/su_mean         0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.000049F^2^)
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_reflns_threshold_expression     I>3\s(I)
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