Décavanadate sel double de dilithium et tétraammonium décahydrate, (NH~4~)~4~Li~2~[V~10~O~28~]·10H~2~O
Ksiksi, Regaya; Graia, Mohsen; Driss, Ahmed; Jouini, Tahar; Acta Crystallographica Section E 60 (2004) i105–i107; doi:10.1107/S1600536804017416

data_2204016
_publ_section_title
;
 D\'ecavanadate sel double de dilithium et t\'etraammonium
 d\'ecahydrate, (NH~4~)~4~Li~2~[V~10~O~28~]&#x00B7;10H~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i105
_journal_page_last               i107
_journal_paper_doi               10.1107/S1600536804017416
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '(N H4)4 Li2 [V10 O28], 10H2 O'
_chemical_formula_moiety         '4H4 N +, 2Li +, O28 V10 6-, 10H2 O'
_chemical_formula_sum            'H36 Li2 N4 O38 V10'
_chemical_formula_weight         1223.61
_chemical_name_common            'tetraammonium dilitium decavanadate'
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                68.42(2)
_cell_angle_beta                 87.05(2)
_cell_angle_gamma                67.80(2)
_cell_formula_units_Z            1
_cell_length_a                   8.523(2)
_cell_length_b                   10.272(2)
_cell_length_c                   11.110(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     833.1(3)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection
'CAD-4 EXPRESS (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Diffractom\`etre CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0020
_diffrn_reflns_av_sigmaI/netI    0.0084
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7758
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.802
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_correction_T_min  0.392
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.658
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3628
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0537P)^2^+0.7843P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                3387
_reflns_number_total             3628
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn6142.cif
_cod_data_source_block           I
_cod_database_code               2204016
_cod_database_fobs_code          2204016