Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of Quantum Dot Effect
Jürgen Köhler; Holger Friedrich; Myung-Hwan Whangbo; Antoine Villesuzanne; Journal of the American Chemical Society 127 (2005) 12990–12996; doi:10.1021/ja053280x

data_4111935
_publ_contact_author
;
        Juergen Koehler
        Max-Planck-Institut fuer Festkoerperforschung
        Heisenbergstrasse 1
        70569 Stuttgart
        Bundesrepublik Deutschland
;
_publ_contact_author_email       J.KOEHLER@FKF.MPG.de
_publ_contact_author_fax         '049 711 689-1091'
_publ_contact_author_phone       '049 711 689-1647'
_publ_section_title
;
 Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution
 [PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the
 Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of
 Quantum Dot Effect
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12990
_journal_page_last               12996
_journal_paper_doi               10.1021/ja053280x
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'Ge2 In6 O9 Pt'
_chemical_formula_weight         1173.21
_chemical_name_systematic
;
 Platinumhexaindiumoxidegermanate
;
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2005-05-12T10:39:16-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0600(12)
_cell_length_b                   10.0600(12)
_cell_length_c                   10.0600(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1018.1(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3516
_diffrn_reflns_theta_full        30.3
_diffrn_reflns_theta_max         30.3
_diffrn_reflns_theta_min         3.51
_exptl_absorpt_coefficient_mu    32.858
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    7.654
_exptl_crystal_F_000             2032
_refine_diff_density_max         0.976
_refine_diff_density_min         -1.19
_refine_diff_density_rms         0.263
_refine_ls_extinction_coef       0.00217(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.39
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11
_refine_ls_number_reflns         110
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.39
_refine_ls_R_factor_all          0.0165
_refine_ls_R_factor_gt           0.0162
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+4.6359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.042
_refine_ls_wR_factor_ref         0.0421
_reflns_number_gt                108
_reflns_number_total             110
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja053280xsi20050722_043857.cif
_cod_data_source_block           test0
_cod_original_formula_sum        'Pt In6 Ge2 O9'
_cod_database_code               4111935
_cod_database_fobs_code          4111935