A new β-CdTeO3 polymorph with a structure related to α-CdTeO3.
Poupon, Morgane; Barrier, Nicolas; Petit, Sébastien; Boudin, Sophie; Dalton transactions (Cambridge, England : 2003) 46 (2017) 1927–1935; doi:10.1039/c6dt04449b

data_7041643
_publ_section_title
;
 A new \b-CdTeO3 polymorph with a structure related to \a-CdTeO3.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1927
_journal_page_last               1935
_journal_paper_doi               10.1039/c6dt04449b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'Cd Te O3'
_chemical_formula_sum            'Cd O3 Te'
_chemical_formula_weight         288
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.45850(3)
_cell_length_b                   14.52185(6)
_cell_length_c                   11.04584(5)
_cell_measurement_temperature    293
_cell_volume                     1196.388(9)
_computing_molecular_graphics
'Diamond 3.2k (Crystal Impact GbR, Bonn, Germany, 1997-2014)'
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_solution
'Superflip (Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'Bruker LynxEye'
_diffrn_detector_type            PSD
_diffrn_measurement_device       'Bragg-Brentano theta-2theta diffractometer'
_diffrn_measurement_device_type  'Bruker D8 advance vario 1'
_diffrn_radiation_monochromator  1.5406
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.5406
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              X-ray
_exptl_absorpt_coefficient_mu    135.615
_exptl_crystal_density_diffrn    6.3959
_exptl_crystal_F_000             1984
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.009
_pd_meas_2theta_range_max        149.996
_pd_meas_2theta_range_min        8.000
_pd_meas_number_of_points        15437
_pd_meas_scan_method             cont
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.009
_pd_proc_2theta_range_max        149.996
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  '12 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0446
_pd_proc_ls_prof_wR_expected     0.0382
_pd_proc_ls_prof_wR_factor       0.0595
_pd_proc_wavelength              1.5406
_pd_spec_mounting                ' packed powder pellet'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              16
_pd_spec_size_equat              16
_pd_spec_size_thick              1
_refine_diff_density_max         0.94
_refine_diff_density_min         -1.11
_refine_ls_goodness_of_fit_all   1.56
_refine_ls_number_constraints    1
_refine_ls_number_parameters     63
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.0339
_refine_ls_shift/su_mean         0.0023
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0276
_refine_ls_wR_factor_gt          0.0276
_cod_data_source_file            c6dt04449b2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041643.cif.
;
_cod_original_formula_sum        'Cd1 O3 Te1'
_cod_database_code               7041643