#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/29/8102910.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_8102910
loop_
_publ_author_name
'A. Fedorchuk'
'Yu. Prots'
'W. Schnelle'
'Yu. Grin'
_publ_section_title
;
Crystal structure of europium lithium gallium, EuLi~0.24~Ga~1.76~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              315
_journal_page_last               316
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Eu Ga1.76 Li0.24'
_chemical_formula_weight         1105.31
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2a 2a'
_symmetry_space_group_name_H-M   'I m m b'
_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                90
_cell_formula_units_Z            4
_cell_length_a                   4.6433(4)
_cell_length_b                   7.6322(6)
_cell_length_c                   7.7341(7)
_cell_measurement_theta_max      47.39
_cell_measurement_theta_min      14.43
_cell_volume                     274.09(4)
_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: 400
               Slice: -30.0000 - 210.0000
         Image width: 0.6000
            Exp time: 40.0000
       Rotation axis: Phi
               Omega: 0.0000
                 Chi: 0.0000
                 Phi: 0.0000
                 XTD: 42.4100
              2theta: -20.0000
scan:
    Number of images: 100
               Slice: -35.0000 - 25.0000
         Image width: 0.6000
            Exp time: 40.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: -90.0000
                 Phi: 85.0000
                 XTD: 42.4100
              2theta: -20.0000
;
_diffrn_measurement_device       'Rigaku AFC7'
_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  0.0675
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1613
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         33.45
_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    31.944
_exptl_crystal_colour            gray
_exptl_crystal_density_diffrn    6.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.070
_refine_diff_density_max         2.644
_refine_diff_density_min         -3.927
_refine_ls_extinction_coef       0.028(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_matrix_type           full
_refine_ls_number_parameters     14
_refine_ls_number_reflns         286
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                262
_reflns_number_total             286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409841.cff
_cod_data_source_block           FT_EuLixGa2-x
_cod_original_cell_volume        274.09(7)
_cod_original_sg_symbol_H-M      'I m m a'
_cod_original_formula_sum        'Eu Li0.24 Ga1.76'
_cod_database_code               8102910
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,y,z
x,-y,z
1/2-x,-y,z
-x,-y,-z
-1/2+x,-y,-z
-x,y,-z
-1/2+x,y,-z
1/2+x,1/2+y,1/2+z
1-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1-x,1/2-y,1/2+z
1/2-x,1/2-y,1/2-z
x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
x,1/2+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 0.0104(2) 0.0096(3) 0.0137(3) 0 0 0
M 0.0096(5) 0.0146(7) 0.0095(5) 0 0 -0.0007(4)
loop_
_atom_site_label
_atom_site_type_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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_occupancy
Eu Eu 0.25 0.5 0.29799(8) Uani 0.0112(2) 4 e 1.
M Ga 0.25 0.68720(1) 0.91239(1) Uani 0.0113(3) 8 i 0.880(6)
M Li 0.25 0.68720(1) 0.91239(1) Uani 0.0113(3) 8 i 0.120(6)
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 -0.542 3.669 International_Tables_Vol_IV_Table_2.3.1
Ga Ga 7.04 0.163 1.609 International_Tables_Vol_IV_Table_2.3.1
Li Li 0.96 0.000 0.000 International_Tables_Vol_IV_Table_2.3.1
