Crystal structure of dieuropium trigallium iridium, Eu~2~Ga~3~Ir
Sichevych, O.; Prots, Yu.; Schnelle, W.; Schmidt, M.; Grin, Yu.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 263–264; doi:

data_8102952
_publ_section_title
;
Crystal structure of dieuropium trigallium iridium, Eu~2~Ga~3~Ir
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              263
_journal_page_last               264
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Eu2 Ga3 Ir'
_chemical_formula_weight         705.319
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_date             2005-07-12T22:30:03-00:00
_audit_creation_method           'CSD2CIF created by WinCSD program'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.6785(2)
_cell_length_b                   5.6785(2)
_cell_length_c                   8.6911(5)
_cell_volume                     242.702(18)
_computing_cell_refinement       WinCSD
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  WinCSD
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measurement_details
;
scan:
 Number of images: 300
            Slice: -120.0000 - 120.0000
      Image width: 0.8000
         Exp time: 60.0000
    Rotation axis: Phi
            Omega: 0.0000
              Chi: 0.0000
              Phi: 0.0000
              XTD: 42.0800
           2theta: -25.0000
scan:
 Number of images: 70
            Slice: -38.0000 - 18.0000
      Image width: 0.8000
         Exp time: 60.0000
    Rotation axis: Omega
            Omega: 0.0000
              Chi: -90.0000
              Phi: -5.0000
              XTD: 42.0800
           2theta: -25.0000

;
_diffrn_measurement_device       'Rigaku AFC-7 & Mercury CCD'
_diffrn_radiation_detector       'Mercury70 (2x2 bin mode)'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2129
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        33.00
_diffrn_reflns_theta_max         33.50
_diffrn_reflns_theta_min         3.74
_diffrn_source_current           40.0000
_diffrn_source_power             2.0000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    71.72
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    9.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.644
_refine_diff_density_min         -3.927
_refine_ls_extinction_coef       0.0023(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11
_refine_ls_number_reflns         232
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_gt           0.032
_refine_ls_shift/su_max          0.010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.028
_reflns_number_gt                212
_reflns_number_total             232
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409890.cff
_cod_data_source_block           OS_Eu2Ga3Ir
_cod_depositor_comments
;The following corrections have been performed
in the original file before
 processing it for deposition
(the diff against the Z. Krist. - NCS original
 is given):

Index:
 2006/03/409890.cff
===================================================================
---
 2006/03/409890.cff (revision 562)
+++ 2006/03/409890.cff (revision 563)
@@
 -231,7 +231,7 @@  -_chemical_formula_sum Eu~2~Ga~3~Ir +_chemical_formula_sum
 'Eu2 Ga3 Ir' _chemical_formula_weight 705.319  Saulius Gra\<zulis
2011-03-03
;
_cod_original_cell_volume        242.653
_cod_database_code               8102952