Planar versus puckered nets in the polar intermetallic series EuGaTt (Tt = Si, Ge, Sn).
You, Tae-Soo; Grin, Yuri; Miller, Gordon J.; Inorganic chemistry 46 (2007) 8801–8811; doi:10.1021/ic701111e

data_4339608
_publ_section_title
;
 Planar versus puckered nets in the polar intermetallic series EuGaTt (Tt
 = Si, Ge, Sn).
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8801
_journal_page_last               8811
_journal_paper_doi               10.1021/ic701111e
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Eu Ga Si'
_chemical_formula_weight         249.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   4.1687(6)
_cell_length_b                   4.1687(6)
_cell_length_c                   4.5543(9)
_cell_measurement_temperature    292(2)
_cell_volume                     68.541(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1988
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         34.82
_diffrn_reflns_theta_min         4.48
_exptl_absorpt_coefficient_mu    32.550
_exptl_absorpt_correction_T_max  0.3501
_exptl_absorpt_correction_T_min  0.1411
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   numerical
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    6.051
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             108
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.844
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       0.024(7)
_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   1.185
_refine_ls_matrix_type           full
_refine_ls_number_parameters     7
_refine_ls_number_reflns         86
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0150
_refine_ls_R_factor_gt           0.0150
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0143P)^2^+0.1107P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0323
_refine_ls_wR_factor_ref         0.0323
_reflns_number_gt                86
_reflns_number_total             86
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701111e-file003.cif
_cod_data_source_block           p6mmm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P6/mmm
_cod_database_code               4339608