Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.
Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C.; Journal of the American Chemical Society 138 (2016) 248–256; doi:10.1021/jacs.5b10355

data_4129761
_publ_section_title
;
 Epitaxial Stabilization between Intermetallic and Carbide Domains in the
 Structures of Mn16SiC4 and Mn17Si2C4.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              248
_journal_page_last               256
_journal_paper_doi               10.1021/jacs.5b10355
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C4 Mn17 Si2'
_chemical_formula_sum            'C4 Mn17 Si2'
_chemical_formula_weight         1038.2
_chemical_name_common            'Manganese silicon carbide'
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            2
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_diffrn_ambient_temperature      293
_diffrn_detector                 'Xcalibur, Eos'
_diffrn_detector_area_resol_mean 16.1500
_diffrn_measured_fraction_theta_full 0.98
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_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_unetI/netI     0.049
_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
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_diffrn_reflns_theta_max         28.79
_diffrn_reflns_theta_min         3.31
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           45
_diffrn_source_power             2.5
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    21.007
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic black'
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_exptl_crystal_description       Plate
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.0419
_refine_ls_shift/su_mean         0.0070
_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          0.0338
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                950
_reflns_number_total             1250
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ja5b10355_si_003.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_database_code               4129761