Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route to Generate New CaTeO3 Polymorphs.
Poupon, Morgane; Barrier, Nicolas; Petit, Sebastien; Clevers, Simon; Dupray, Valerie; Inorganic chemistry 54 (2015) 5660–5670; doi:10.1021/acs.inorgchem.5b00037

data_4343088
_publ_section_title
;
 Hydrothermal Synthesis and Dehydration of CaTeO3(H2O): An Original Route
 to Generate New CaTeO3 Polymorphs.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5660
_journal_page_last               5670
_journal_paper_doi               10.1021/acs.inorgchem.5b00037
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'O3 Te, O, Ca'
_chemical_formula_sum            'Ca O4 Te'
_chemical_formula_weight         231.7
_chemical_name_systematic        ' ?'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.78549(4)
_cell_length_b                   6.79194(3)
_cell_length_c                   8.06261(3)
_cell_measurement_temperature    293
_cell_volume                     809.665(5)
_diffrn_ambient_temperature      293
_diffrn_detector                 'Bruker LynxEye'
_diffrn_detector_type            PSD
_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    67.545
_exptl_crystal_density_diffrn    3.8011
_exptl_crystal_F_000             832
_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        139.991
_pd_meas_2theta_range_min        5.000
_pd_meas_number_of_points        15000
_pd_meas_scan_method             cont
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.009
_pd_proc_2theta_range_max        139.991
_pd_proc_2theta_range_min        5
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0680
_pd_proc_ls_prof_wR_expected     0.0567
_pd_proc_ls_prof_wR_factor       0.0961
_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         1.25
_refine_diff_density_min         -1.25
_refine_ls_goodness_of_fit_all   1.70
_refine_ls_number_constraints    9
_refine_ls_number_parameters     66
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.0308
_refine_ls_shift/su_mean         0.0038
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0432
_refine_ls_wR_factor_gt          0.0430
_cod_data_source_file            ic5b00037_si_002.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/ACS/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343088--4343089.cif.
;
_cod_original_cell_volume        809.665(6)
_cod_original_formula_sum        'Ca1 O4 Te1'
_cod_database_code               4343088