On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure - M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir, Pt).
Stegemann, Frank; Zhang, Yuemei; Fokwa, Boniface P. T.; Janka, Oliver; Dalton transactions (Cambridge, England : 2003) 49 (2020) 6398–6406; doi:10.1039/d0dt00521e

data_7704166
_publ_section_title
;
 On the formation of the Gd<sub>3</sub>Ru<sub>4</sub>Al<sub>12</sub>versus
 the Y<sub>2</sub>Co<sub>3</sub>Ga<sub>9</sub> type structure -
 M<sub>3</sub>Rh<sub>4</sub>Al<sub>12</sub> (M = Ca, Eu) versus
 M<sub>2</sub>T<sub>3</sub>Al<sub>9</sub> (M = Ca, Sr, Eu, Yb; T = Ir,
 Pt).
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6398
_journal_page_last               6406
_journal_paper_doi               10.1039/d0dt00521e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Al9 Ca2 Ir3'
_chemical_formula_weight         899.7
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_audit_update_record
;
2019-10-11 deposited with the CCDC.	2020-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9550(3)
_cell_length_b                   7.5834(5)
_cell_length_c                   9.6175(4)
_cell_measurement_reflns_used    2541
_cell_measurement_temperature    293
_cell_measurement_theta_max      33.52
_cell_measurement_theta_min      4.24
_cell_volume                     944.85(8)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS-II Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6004
_diffrn_reflns_theta_full        33.49
_diffrn_reflns_theta_max         33.49
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    44.0
_exptl_absorpt_correction_T_max  0.3481
_exptl_absorpt_correction_T_min  0.1266
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.32
_exptl_crystal_description       blocl
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         3.24
_refine_diff_density_min         -2.00
_refine_ls_extinction_coef       790(20)
_refine_ls_extinction_method
'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.45
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_number_constraints    0
_refine_ls_number_parameters     42
_refine_ls_number_reflns         997
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0496
_reflns_number_gt                521
_reflns_number_total             997
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d0dt00521e1.cif
_cod_data_source_block           I_CCDC3
_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/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704163--7704166.cif.
;
_cod_original_cell_volume        944.85
_cod_original_sg_symbol_Hall     '-C -2x;-2yc;-2zc'
_cod_database_code               7704166