Erbium dicobalt disilicide, ErCo~2~Si~2~
Demchenko, Pavlo; Kończyk, Joanna; Bodak, Oksana; Marciniak, Bernard; Matvijishyn, Roman; Acta Crystallographica Section E 61 (2005) i218–i220; doi:10.1107/S1600536805030722

data_2207083
_publ_section_title
;
 Erbium dicobalt disilicide, ErCo~2~Si~2~
;
_journal_coeditor_code           WM6091
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i218
_journal_page_last               i220
_journal_paper_doi               10.1107/S1600536805030722
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Co2 Er Si2'
_chemical_formula_structural     'Co2 Er Si2'
_chemical_formula_sum            'Co2 Er Si2'
_chemical_formula_weight         341.30
_chemical_name_common            'Erbium dicobalt disilicide'
_chemical_name_systematic
;
Dicobalt erbium disilicon
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.874(2)
_cell_length_b                   3.874(2)
_cell_length_c                   9.704(4)
_cell_measurement_reflns_used    561
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      29.30
_cell_measurement_theta_min      2.42
_cell_volume                     145.64(12)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Oxford Xcalibur3 CCD area--detector'
_diffrn_measurement_method       \w
_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  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            694
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.82
_diffrn_reflns_theta_min         4.20
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    40.292
_exptl_absorpt_correction_T_max  0.2610
_exptl_absorpt_correction_T_min  0.0079
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2004)'
_exptl_crystal_colour            'metallic light grey'
_exptl_crystal_density_diffrn    7.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             300
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.085
_refine_diff_density_min         -2.407
_refine_ls_extinction_coef       0.018(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_reflns         109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0245P)^2^+2.3748P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                106
_reflns_number_total             109
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6091.cif
_cod_data_source_block           I
_cod_database_code               2207083
_cod_database_fobs_code          2207083