Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System
Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.; Acta Crystallographica Section C 51 (1995) 2464–2466; doi:10.1107/S010827019500655X

data_2004238
_publ_section_title
;
 Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First
 Ternary Compounds from the Ce--Ni--Zn System
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2464
_journal_page_last               2466
_journal_paper_doi               10.1107/S010827019500655X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Ce1 Ni2 Zn1'
_chemical_formula_structural     'Ce1 Ni2 Zn1'
_chemical_formula_sum            'Ce Ni2 Zn'
_chemical_formula_weight         322.88
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   5.045(3)
_cell_length_b                   5.045(3)
_cell_length_c                   16.434(7)
_cell_measurement_reflns_used    12
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      7
_cell_volume                     362.2(3)
_computing_cell_refinement       'Xtal3.2 (Hall, Flack & Stewart, 1992)'
_computing_data_collection       'Philips PW1100 software'
_computing_data_reduction        Xtal3.2
_computing_publication_material
;
STRUCTURE TIDY (Gelato & Parth\'e, 1987)
;
_computing_structure_refinement  'Xtal CRYLSQ'
_computing_structure_solution
;
MULTAN87 (Debaerdemaeker, Germain, Main, Tate & Woolfson, 1987)
;
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_source         Sealed-off_tube
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .137
_diffrn_reflns_av_sigmaI/netI    .097
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            968
_diffrn_reflns_theta_max         29.94
_diffrn_reflns_theta_min         2.47
_diffrn_standards_decay_%        '0.8 and 1.87'
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    43.233
_exptl_absorpt_correction_T_max  .646
_exptl_absorpt_correction_T_min  .095
_exptl_absorpt_correction_type   'Analytical integration'
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    8.881
_exptl_crystal_description       flake
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.010
_refine_diff_density_max         3.28
_refine_diff_density_min         -4.06
_refine_ls_extinction_coef       500.00
_refine_ls_extinction_method     'Zachariasen (1968)'
_refine_ls_goodness_of_fit_all   2.711
_refine_ls_goodness_of_fit_obs   2.512
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     18
_refine_ls_number_reflns         170
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .085
_refine_ls_R_factor_obs          .066
_refine_ls_shift/esd_max         .0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .034
_refine_ls_wR_factor_obs         .034
_reflns_number_observed          176
_reflns_number_total             243
_reflns_observed_criterion       'refl observed if F > 3\s(F)'
_cod_data_source_file            du1126.cif
_cod_data_source_block           CeNi2Zn
_cod_original_cell_volume        362.2(4)
_cod_original_sg_symbol_H-M      'P 63/mmc'
_cod_original_formula_sum        'Ce1 Ni2 Zn1'
_cod_database_code               2004238