Stabilization by Si Substitution of the Pseudobinary Compound Gd2(Co3-xSix) with Magnetocaloric Properties around Room Temperature.
Tencé, Sophie; Caballero Flores, Rafael; Chable, Johann; Gorsse, Stéphane; Chevalier, Bernard; Gaudin, Etienne; Inorganic chemistry 53 (2014) 6728–6736; doi:10.1021/ic500529b

data_4339983
_publ_section_title
;
 Stabilization by Si Substitution of the Pseudobinary Compound
 Gd2(Co3-xSix) with Magnetocaloric Properties around Room Temperature.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6728
_journal_page_last               6736
_journal_paper_doi               10.1021/ic500529b
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Co2.53 Gd2 Si0.47'
_chemical_formula_weight         478.8
_chemical_name_systematic        ' ?'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3833(4)
_cell_length_b                   9.5535(6)
_cell_length_c                   7.1233(5)
_cell_measurement_temperature    293
_cell_volume                     366.35(4)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_measurement_method       '/f scans + /w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4450
_diffrn_reflns_theta_full        34.79
_diffrn_reflns_theta_max         34.79
_diffrn_reflns_theta_min         5.14
_exptl_absorpt_coefficient_mu    46.831
_exptl_absorpt_correction_T_max  0.414
_exptl_absorpt_correction_T_min  0.1606
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'Jana2006  (Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_colour            Metallic_grey
_exptl_crystal_density_diffrn    8.642
_exptl_crystal_description       block
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.058
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.00
_refine_diff_density_min         -1.19
_refine_ls_extinction_coef       510(90)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.10
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_number_constraints    9
_refine_ls_number_parameters     19
_refine_ls_number_reflns         430
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.0027
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0009I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0520
_reflns_number_gt                405
_reflns_number_total             430
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic500529b_si_001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Gaussian'
changed to 'gaussian' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4339983.cif.
;
_cod_original_sg_symbol_Hall     '-C -2x;-2ybc;-2zbc'
_cod_original_sg_symbol_H-M      'C m c e'
_cod_database_code               4339983