#------------------------------------------------------------------------------
#$Date: 2016-02-18 13:25:00 +0100 (jue 18 de feb de 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/29/8102951.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8102951
loop_
_publ_author_name
'Sichevych, O.'
'Cardoso-Gil, R.'
'Grin, Yu.'
_publ_section_title
;
Refinement of the crystal structure of europium digallide, EuGa₂
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              261
_journal_page_last               262
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Eu Ga2'
_chemical_formula_weight         291.4
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6459(3)
_cell_length_b                   7.6255(5)
_cell_length_c                   7.6379(3)
_cell_measurement_temperature    293(2)
_cell_volume                     270.59(3)
_computing_cell_refinement       'CSD (Akselrud, 1993)'
_computing_data_collection
'STOE IPDS, Version 2.87 (STOE and CIE, 1998)'
_computing_data_reduction
'STOE IPDS, Version 2.87 (STOE and CIE, 1998)'
_computing_structure_refinement  'CSD (Akselrud, 1993)'
_diffrn_ambient_temperature      295.1500
_diffrn_measurement_details
;
scan:
    Number of images: 200
               Slice: ??? - ???
         Image width: 1°
            Exp time: 8 min
       Rotation axis: Phi
;
_diffrn_measurement_device       'Image Plate'
_diffrn_measurement_method       phi
_diffrn_radiation_detector       'Stoe IPDS I'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_av_sigmaI/netI    0.021
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1750
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        23.88
_diffrn_reflns_theta_max         23.88
_diffrn_reflns_theta_min         2.98
_diffrn_source_current           32.0000
_diffrn_source_power             1.7900
_diffrn_source_voltage           56.0000
_exptl_absorpt_coefficient_mu    22.76
_exptl_absorpt_correction_T_max  0.6259
_exptl_absorpt_correction_T_min  0.3685
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            silver-metallic
_exptl_crystal_density_diffrn    7.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism-like
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.083
_exptl_crystal_size_mid          0.049
_exptl_crystal_size_min          0.021
_refine_diff_density_max         1.230
_refine_diff_density_min         -1.410
_refine_ls_extinction_coef       0.0024(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   2.420
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         227
_refine_ls_R_factor_gt           0.017
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.023
_reflns_number_gt                255
_reflns_number_total             1750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409889.cff
_cod_data_source_block           OS_EuGa2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        270.6(1)
_cod_original_sg_symbol_H-M      ' I m m a'
_cod_database_code               8102951
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,z
x,1/2-y,z
-x,1/2-y,z
-x,-y,-z
x,-y,-z
-x,-1/2+y,-z
x,-1/2+y,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1-y,1/2+z
1/2-x,1-y,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2-y,1/2-z
1/2-x,y,1/2-z
1/2+x,y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Eu 0.0070(3) 0.0059(3) 0.0084(3) 0 0 0
Ga 0.0066(4) 0.0084(4) 0.0065(4) 0 0 -0.0005(3)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Eu Eu 4 e 0 0.25 0.04762(7) Uani 0.00712(2) 1.
Ga Ga 8 i 0 0.43435(1) 0.66088(1) Uani 0.0072(2) 1.
loop_
_atom_type_symbol
_atom_type_description
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Eu Eu 4.00 -0.782 2.435 International_Tables_Vol_IV_Table_2.3.1
Ga Ga 8.00 0.249 1.059 International_Tables_Vol_IV_Table_2.3.1
