Metastable cu(i)-niobate semiconductor with a low-temperature, nanoparticle-mediated synthesis.
Choi, Jonglak; King, Nacole; Maggard, Paul A.; ACS nano 7 (2013) 1699–1708; doi:10.1021/nn305707f

data_4507439
_publ_section_title
;
 Metastable cu(i)-niobate semiconductor with a low-temperature,
 nanoparticle-mediated synthesis.
;
_journal_issue                   2
_journal_name_full               'ACS nano'
_journal_page_first              1699
_journal_page_last               1708
_journal_paper_doi               10.1021/nn305707f
_journal_volume                  7
_journal_year                    2013
_chemical_formula_moiety         Cu2Nb8O21
_chemical_formula_sum            'Cu2 Nb8 O21'
_chemical_formula_weight         1206.38
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.2120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5325(2)
_cell_length_b                   6.43060(10)
_cell_length_c                   10.1730(2)
_cell_measurement_reflns_used    2420
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      41.27
_cell_measurement_theta_min      2.03
_cell_volume                     678.11(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       'Omega scan b/P/b'
_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
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2420
_diffrn_reflns_theta_full        41.27
_diffrn_reflns_theta_max         41.27
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    9.698
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   'numerical from crystal shape'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    5.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-plate
_exptl_crystal_F_000             1108.0
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.809
_refine_diff_density_min         -2.026
_refine_diff_density_rms         0.399
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         2420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0368P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                3385
_reflns_number_total             2420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nn305707f_si_002.cif
_cod_data_source_block           cj3-7_c(wt)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4507439