Synthesis of new Ga7Ge3Te11—One-dimensional phase in Ga‒Ge‒Te ternary system: Crystal structure and physical properties
Drasar, Cestmir; Cisarova, Ivana; Kucek, Vladimir; Benes, Ludvik; Prokleska, Jan; Kratochvilova, Marie; Journal of Solid State Chemistry 222 (2015) 90–95; doi:10.1016/j.jssc.2014.11.013

data_1562132
_publ_section_title
;
 Synthesis of new Ga7Ge3Te11---One-dimensional phase in Ga--Ge--Te ternary
 system: Crystal structure and physical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              90
_journal_page_last               95
_journal_paper_doi               10.1016/j.jssc.2014.11.013
_journal_volume                  222
_journal_year                    2015
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'Ga7 Ge3 Te11'
_chemical_formula_sum            'Ga7 Ge3 Te11'
_chemical_formula_weight         2109.41
_chemical_name_common            Gallium(7)Germanium(3)Tellurium(11)
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   notdet
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.903(6)
_cell_length_b                   4.0877(7)
_cell_length_c                   15.370(3)
_cell_measurement_reflns_used    719
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.7179
_cell_measurement_theta_min      2.9344
_cell_volume                     2444.2(7)
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.1096
_diffrn_reflns_av_sigmaI/netI    0.1051
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15422
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    24.074
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.22
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    5.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       thread
_exptl_crystal_F_000             3540
_exptl_crystal_size_max          0.312
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.021
_refine_diff_density_max         2.524
_refine_diff_density_min         -1.835
_refine_diff_density_rms         0.526
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         2674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                1682
_reflns_number_total             2674
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            JSSC-2015-222-90.cif
_cod_data_source_block           gagete_tyc_nova_integrace
_cod_original_cell_volume        2444.1(7)
_cod_database_code               1562132