Na5Sn13: A New Zintl Phase with a Complex Network Structure Constructed from Tin Pentagons
J. T. Vaughey; John D. Corbett; Inorganic Chemistry 36 (1997) 4316–4320; doi:10.1021/ic9703181

data_4323596
_publ_contact_author
;           
                          John D. Corbett
                          Ames Laboratory
                          Iowa State University
                          Ames, IA 50011
;
_publ_contact_author_email       ' jdc@ameslab.gov '
_publ_contact_author_fax         ' 515-294-5718 '
_publ_contact_author_phone       ' 515-294-'
_publ_section_title
;
 Na5Sn13: A New Zintl Phase with a Complex Network Structure Constructed
 from Tin Pentagons
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4316
_journal_page_last               4320
_journal_paper_doi               10.1021/ic9703181
_journal_volume                  36
_journal_year                    1997
_chemical_compound_source        'stoichiometric reaction of elements'
_chemical_formula_sum            'Na5 Sn13'
_chemical_formula_weight         1657.92
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_audit_creation_date             'Wed Mar 26 16:37:05 1997'
_audit_creation_method           'from TEXRAY.INF file'
_audit_update_record             'updated by J. Vaughey'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.979(1)
_cell_length_b                   19.448(6)
_cell_length_c                   50.43(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     8806(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      273.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      -0.01572
_diffrn_orient_matrix_UB_12      -0.02462
_diffrn_orient_matrix_UB_13      0.01721
_diffrn_orient_matrix_UB_21      -0.02173
_diffrn_orient_matrix_UB_22      -0.04336
_diffrn_orient_matrix_UB_23      -0.00994
_diffrn_orient_matrix_UB_31      0.10836
_diffrn_orient_matrix_UB_32      -0.01224
_diffrn_orient_matrix_UB_33      0.00058
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  22.18
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_number            8059
_diffrn_reflns_theta_max         25.01
_diffrn_standards_decay_%        -8.80
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.615
_exptl_absorpt_correction_T_max  1.811
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.002
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       'irregular plate'
_exptl_crystal_F_000             11280.00
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.400
_refine_diff_density_max         -3.47
_refine_diff_density_min         4.51
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         2152
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0666
_refine_ls_shift/esd_max         0.0075
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0824
_reflns_number_observed          2152
_reflns_number_total             8059
_reflns_observed_criterion       3.00
_cod_data_source_file            ic9703181.cif
_cod_data_source_block           Na5Sn13_MS_No.IC9703181
_cod_original_cell_volume        8806(7)
_cod_original_sg_symbol_H-M      'C m c m '
_cod_database_code               4323596