Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)
Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.; Chemistry of Materials 26 (2014) 1170–; doi:10.1021/cm4035424

data_4001866
_publ_section_title
;
 Filling in the Holes: Structural and Magnetic Properties of the Chemical
 Pressure Stabilized LnMnxGa3(Ln = Ho--Tm;x&lt; 0.15)
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1170
_journal_paper_doi               10.1021/cm4035424
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'Ga3 Ho Mn0.152'
_chemical_formula_weight         382.4
_chemical_name_systematic        ' ?'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.25160(10)
_cell_length_b                   4.25160(10)
_cell_length_c                   4.25160(10)
_cell_measurement_temperature    293
_cell_volume                     76.852(3)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_av_unetI/netI     0.0107
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2870
_diffrn_reflns_theta_full        31.01
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_min         4.79
_exptl_absorpt_coefficient_mu    51.734
_exptl_absorpt_correction_T_max  0.6256
_exptl_absorpt_correction_T_min  0.1472
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    8.2607
_exptl_crystal_F_000             164
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.52
_refine_ls_extinction_coef       322(15)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.28
_refine_ls_goodness_of_fit_ref   1.28
_refine_ls_number_constraints    2
_refine_ls_number_parameters     8
_refine_ls_number_reflns         44
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0114
_refine_ls_R_factor_gt           0.0114
_refine_ls_shift/su_max          0.0014
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0129
_refine_ls_wR_factor_ref         0.0129
_reflns_number_gt                44
_reflns_number_total             44
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cm4035424_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/automatic-downloads/current/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 
;
_cod_original_sg_symbol_Hall     '-P 4;2;3'
_cod_original_formula_sum        'Ga3 Ho1 Mn0.152'
_cod_database_code               4001866