Na~2~ZnGe
Cheviré, François; DiSalvo, Francis J.; Acta Crystallographica, Section E 63 (2007) m62–m63; doi:10.1107/S1600536807003972

data_2212047
_publ_section_title
;
Na~2~ZnGe
;
_journal_coeditor_code           BR2027
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m62
_journal_page_last               m63
_journal_paper_doi               10.1107/S1600536807003972
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Na2 Zn Ge'
_chemical_formula_structural     'Na2 Zn Ge'
_chemical_formula_sum            'Ge Na2 Zn'
_chemical_formula_weight         183.94
_chemical_name_common            'disodium zinc germanide'
_chemical_name_systematic
;
disodium zinc germanide
;
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c 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                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1922(12)
_cell_length_b                   7.4198(9)
_cell_length_c                   5.5002(7)
_cell_measurement_reflns_used    506
_cell_measurement_temperature    167.0(10)
_cell_measurement_theta_max      36.32
_cell_measurement_theta_min      3.53
_cell_volume                     375.14(8)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Brucker, 2003)'
_computing_data_reduction        'SAINT-Plus (Brucker, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      167(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker X8 APEX-II 4K CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2315
_diffrn_reflns_theta_full        36.32
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_min         3.53
_exptl_absorpt_coefficient_mu    14.365
_exptl_absorpt_correction_T_max  0.3175
_exptl_absorpt_correction_T_min  0.2013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    3.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             336
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.452
_refine_diff_density_min         -1.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_matrix_type           full
_refine_ls_number_parameters     15
_refine_ls_number_reflns         506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0157
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0139P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0329
_refine_ls_wR_factor_ref         0.0334
_reflns_number_gt                459
_reflns_number_total             506
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2027.cif
_cod_database_code               2212047