Caesium zirconium uranium pentatelluride, CsZrUTe~5~
Jong-Young Kim; Danielle L. Gray; James A. Ibers; Acta Crystallographica Section E 62 (2006) i124–i125; doi:10.1107/S1600536806013584

data_2209034
_publ_section_title
;
 Caesium zirconium uranium pentatelluride, CsZrUTe~5~
;
_journal_coeditor_code           WM2013
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i124
_journal_page_last               i125
_journal_paper_doi               10.1107/S1600536806013584
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Cs Zr U Te5'
_chemical_formula_structural     'Cs U Zr Te5'
_chemical_formula_sum            'Cs Te5 U Zr'
_chemical_formula_weight         1100.16
_chemical_name_common
;
cesium zirconium uranium pentatelluride
;
_chemical_name_systematic
;
cesium zirconium uranium pentatelluride
;
_space_group_IT_number           51
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_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            2
_cell_length_a                   6.3101(8)
_cell_length_b                   8.2299(10)
_cell_length_c                   10.5401(13)
_cell_measurement_reflns_used    4900
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.9
_cell_measurement_theta_min      2.5
_cell_volume                     547.36(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'CrystalMaker (CrystalMaker Software, 2005)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2003)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker SMART 1000 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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6537
_diffrn_reflns_theta_full        28.89
_diffrn_reflns_theta_max         28.89
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        <2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    31.990
_exptl_absorpt_correction_T_max  0.217
_exptl_absorpt_correction_T_min  0.039
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face-indexed (SHELXTL; Sheldrick, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             894
_exptl_crystal_size_max          0.336
_exptl_crystal_size_mid          0.062
_exptl_crystal_size_min          0.056
_refine_diff_density_max         3.854
_refine_diff_density_min         -2.551
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.266
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_reflns         801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.266
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0247
_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^)+(0.04P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0672
_reflns_number_gt                769
_reflns_number_total             801
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2013.cif
_cod_data_source_block           I
_cod_database_code               2209034
_cod_database_fobs_code          2209034