REMGa3Ge and RE3Ni3Ga8Ge3 (M = Ni, Co; RE = Rare-Earth Element): New Intermetallics Synthesized in Liquid Gallium. X-ray, Electron, and Neutron Structure Determination and Magnetism
Marina A. Zhuravleva; Robert J. Pcionek; Xiaoping Wang; Arthur J. Schultz; Mercouri G. Kanatzidis; Inorganic Chemistry 42 (2003) 6412–6424; doi:10.1021/ic0341892

data_4314344
_publ_section_title
;
 REMGa3Ge and RE3Ni3Ga8Ge3 (M = Ni, Co; RE = Rare-Earth Element): New
 Intermetallics Synthesized in Liquid Gallium. X-ray, Electron, and
 Neutron Structure Determination and Magnetism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6412
_journal_page_last               6424
_journal_paper_doi               10.1021/ic0341892
_journal_volume                  42
_journal_year                    2003
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'Co1 Ga3 Ge1 Y1'
_chemical_formula_sum            'Co Ga3 Ge Y'
_chemical_formula_weight         429.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     x-ray
_atom_sites_solution_secondary   difmap
_audit_creation_method           manual
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.1882(7)
_cell_length_b                   4.1882(7)
_cell_length_c                   23.776(9)
_cell_measurement_reflns_used    299
_cell_measurement_temperature    20(1)
_cell_measurement_theta_max      'not applicable to TOF Laue technique'
_cell_measurement_theta_min      'not applicable to TOF Laue technique'
_cell_volume                     417.06(19)
_computing_cell_refinement       'LATCON (Argonne Programs)'
_computing_data_collection       'IPNS data aquisition software'
_computing_data_reduction        'ANVRED (Argonne Programs)'
_computing_structure_refinement  'GSAS (Larson & Von Dreele 2000)'
_diffrn_ambient_temperature      20
_diffrn_measurement_device       'IPNS Single Crystal Diffractometer'
_diffrn_measurement_method       'time of flight'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'pulsed neutron'
_diffrn_radiation_wavelength     0.7-4.2
_diffrn_reflns_av_R_equivalents  'not applicable to TOF Laue technique'
_diffrn_reflns_av_sigmaI/netI    'not applicable to TOF Laue technique'
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            433
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 'not applicable to TOF Laue technique'
_diffrn_standards_interval_time  'not applicable to TOF Laue technique'
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    '0.409+0.262(\l) cm^-1^'
_exptl_absorpt_correction_T_max  0.3410
_exptl_absorpt_correction_T_min  0.1292
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'IPNS ANVRED program'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             161
_exptl_crystal_size_max          2.6
_exptl_crystal_size_mid          2.4
_exptl_crystal_size_min          1.5
_refine_ls_extinction_coef       0.000122(8)
_refine_ls_extinction_method     'secondary Type I'
_refine_ls_goodness_of_fit_ref   2.50
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     34
_refine_ls_number_reflns         433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.50
_refine_ls_R_factor_all          0.068
_refine_ls_R_factor_gt           0.068
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/(sigma(Fo^2)+(0.002Fo^2)^2)^2
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.062
_refine_ls_wR_factor_ref         0.062
_reflns_number_gt                43
_reflns_number_total             433
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ic0341892si20030729_022830_3.cif
_cod_data_source_block           neutron
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314344
_diffrn_reflns_d_min             0.60
_diffrn_reflns_d_max             4.0