X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~ between 293 and 80K: a quantitative analysis of the ferroelastic domains distribution below 118K
Peral, I.; Madariaga, G.; Perez-Etxebarria, A.; Breczewski, T.; Acta Crystallographica Section B 56 (2000) 215–225; doi:10.1107/S0108768199013622

data_2102031
_publ_section_title
;
 X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~
 between 293 and 80K: a quantitative analysis of the ferroelastic
 domains distribution below 118K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              215
_journal_page_last               225
_journal_paper_doi               10.1107/S0108768199013622
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C4 Cd Cl3 H12 N'
_chemical_formula_sum            'C4 H12 Cd Cl3 N'
_chemical_formula_weight         292.62
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_symmetry_cell_setting           hexagonal
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_cell_angle_beta                 90.000(9)
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_cell_formula_units_Z            2
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_cell_length_b                   9.126(5)
_cell_length_c                   6.718(2)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      4
_cell_volume                     484.5(4)
_computing_cell_refinement       CAD4VPC
_computing_data_collection       CAD4VPC
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_computing_molecular_graphics    xtal
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_diffrn_ambient_temperature      293
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .021
_diffrn_reflns_av_sigmaI/netI    .087
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_diffrn_reflns_reduction_process perpendicular_monochr_Lp
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_exptl_absorpt_correction_T_min  .7089
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_exptl_absorpt_process_details   '(Alcock, 1974)'
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_exptl_crystal_density_meas      ?
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_refine_ls_R_factor_obs          .045
_refine_ls_shift/su_max          .363
_refine_ls_shift/su_mean         .079
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_obs         .031
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_reflns_observed_criterion       F____>_.000_sigma(F___)
_cod_data_source_file            na0098.cif
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_cod_original_cell_volume        484.5(6)
_cod_original_sg_symbol_Hall     -P_6c
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