The Heusler-type alloy MgZn~2~Ce
Pavlyuk, Volodymyr; Solokha, Pavlo; Dmytriv, Grygorij; Marciniak, Bernard; Paul-Boncour, Valerie; Acta Crystallographica Section E 63 (2007) i161–i161; doi:10.1107/S1600536807028899

data_2214423
_publ_section_title
;
 The Heusler-type alloy MgZn~2~Ce
;
_journal_coeditor_code           WM2125
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i161
_journal_page_last               i161
_journal_paper_doi               10.1107/S1600536807028899
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Mg Zn2 Ce'
_chemical_formula_structural     'Mg Zn2 Ce'
_chemical_formula_sum            'Ce Mg Zn2'
_chemical_formula_weight         295.17
_chemical_name_common            'Magnesium dizinc cerium'
_chemical_name_systematic
;
Magnesium dizinc cerium
;
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0358(4)
_cell_length_b                   7.0358(4)
_cell_length_c                   7.0358(4)
_cell_measurement_reflns_used    764
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      32.96
_cell_measurement_theta_min      5.02
_cell_volume                     348.29(3)
_computing_cell_refinement       'CrysAlis CCD'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2004)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2005)'
_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 1.000
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur CCD'
_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  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            764
_diffrn_reflns_theta_full        32.96
_diffrn_reflns_theta_max         32.96
_diffrn_reflns_theta_min         5.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    26.398
_exptl_absorpt_correction_T_max  0.198
_exptl_absorpt_correction_T_min  0.11
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2005)'
_exptl_crystal_colour            'metallic dark-grey'
_exptl_crystal_density_diffrn    5.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.953
_refine_diff_density_min         -1.317
_refine_ls_extinction_coef       0.0038(5)
_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   1.010
_refine_ls_matrix_type           full
_refine_ls_number_parameters     5
_refine_ls_number_reflns         55
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0160
_refine_ls_R_factor_gt           0.0160
_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^)+(0.0117P)^2^+19.6603P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0448
_reflns_number_gt                55
_reflns_number_total             55
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2125.cif
_cod_data_source_block           I
_cod_database_code               2214423
_cod_database_fobs_code          2214423