Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction
Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer; Acta Crystallographica Section B 60 (2004) 272–281; doi:10.1107/S0108768104009346

data_2102498
_publ_section_title
;
 Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a
 binary intermetallic compound with a new orthorhombic structure type
 determined from powder and single-crystal X-ray diffraction
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              272
_journal_page_last               281
_journal_paper_doi               10.1107/S0108768104009346
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     'Mg Ir'
_chemical_formula_sum            'Ir Mg'
_chemical_formula_weight         216.51
_chemical_name_systematic        'magnesium iridium'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            152
_cell_length_a                   18.46948(6)
_cell_length_b                   16.17450(5)
_cell_length_c                   16.82131(5)
_cell_measurement_reflns_used    3963
_cell_measurement_temperature    293
_cell_measurement_theta_max      41.890
_cell_measurement_theta_min      2.215
_cell_volume                     5025.11(3)
_computing_cell_refinement       'FullProf.2k (Rodr\'iguez-Carvajal, 2002)'
_computing_data_reduction        FullProf.2k
_computing_publication_material
;
WinPLOTR, (Roisnel & Rodr\'iguez-Carvajal, 1998),
Atoms, (Dowty, 1993)
;
_computing_structure_refinement  FullProf.2k
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  '2-axis goniometer'
_diffrn_radiation_monochromator  'channel-cut Si 111'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.50012
_exptl_absorpt_coefficient_mu    3.55
_exptl_crystal_density_diffrn    10.95
_exptl_crystal_density_method    'not measured'
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     70
_refine_ls_number_reflns         3963
_refine_ls_number_restraints     0
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            av5006.cif
_cod_data_source_block           MgIr
_cod_depositor_comments
;
 Changing the Hall space group symbol from 'C m c a' to 'C m c e' in accordance
 to the new notation as described in the International Tables of Crystallography
 Volume A.

 Antanas Vaitkus,
 2017-07-07

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_sg_symbol_H-M      'C M C A'
_cod_database_code               2102498