On the thermal evolution of the crystal structure of SrTeO~3~: the β-form at 473K
Zavodnik, Valery E.; Ivanov, Sergey A.; Stash, Adam I.; Acta Crystallographica Section E 63 (2007) i111–i112; doi:10.1107/S160053680701210X

data_2212781
_publ_section_title
;
 On the thermal evolution of the crystal structure of SrTeO~3~: the
 \b-form at 473K
;
_journal_coeditor_code           BR2032
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i111
_journal_page_last               i112
_journal_paper_doi               10.1107/S160053680701210X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Sr Te O3'
_chemical_formula_moiety         'O3 Te, Sr'
_chemical_formula_structural     'Sr Te O3'
_chemical_formula_sum            'O3 Sr Te'
_chemical_formula_weight         263.22
_chemical_name_systematic
;
strontium tellurite
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            48
_cell_length_a                   28.206(6)
_cell_length_b                   5.9210(10)
_cell_length_c                   28.528(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    473(2)
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      12.4
_cell_volume                     4347.1(18)
_computing_cell_refinement       'CAD-4/PC Manual'
_computing_data_collection       'CAD-4/PC Manual (Enraf--Nonius ,1993)'
_computing_data_reduction        'CAD-4/PC Manual'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997) and SHELXL97'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      473(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type
'Enraf--Nonius CAD-4 with high-temperature device'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  \b-filter
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0898
_diffrn_reflns_av_sigmaI/netI    0.3928
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6803
_diffrn_reflns_theta_full        23.97
_diffrn_reflns_theta_max         23.97
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.1290
_exptl_absorpt_correction_T_max  0.3856
_exptl_absorpt_correction_T_min  0.1389
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
Alcock, 1970
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5472
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.991
_refine_diff_density_min         -1.968
_refine_ls_extinction_coef       0.000095(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.720
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         6672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.720
_refine_ls_R_factor_all          0.2295
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)+(0.0358P)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                1757
_reflns_number_total             6672
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2032.cif
_cod_data_source_block           I
_cod_original_cell_volume        4347.1(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212781
_cod_database_fobs_code          2212781