Crystal growth of metal tellurides from a boron-tellurium mixture: MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).
Jana, Subhendu; Chirantha Edirisinghe, E. A.; Mongkhonratanachai, Machima; Maggard, Paul A.; Dalton transactions (Cambridge, England : 2003) 55 (2026) 4574–4583; doi:10.1039/d6dt00156d

data_7720282
_publ_section_title
;
 Crystal growth of metal tellurides from a boron-tellurium mixture:
 MTr<sub>2</sub>Te<sub>4</sub> (M = Sr, Eu; Tr = In, Ga).
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4574
_journal_page_last               4583
_journal_paper_doi               10.1039/d6dt00156d
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'Ga2 Sr Te4'
_chemical_formula_sum            'Ga2 Sr Te4'
_chemical_formula_weight         737.46
_space_group_crystal_system      tetragonal
_space_group_IT_number           140
_space_group_name_Hall           '-I 4 2c'
_space_group_name_H-M_alt        'I 4/m c m'
_audit_creation_date             2025-08-28
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-09-08 deposited with the CCDC.	2026-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2190(5)
_cell_length_b                   8.2190(5)
_cell_length_c                   6.7270(5)
_cell_measurement_reflns_used    742
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      32.3870
_cell_measurement_theta_min      3.0230
_cell_volume                     454.42(5)
_computing_cell_refinement       'CrysAlisPro 1.171.43.124a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.124a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.124a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      300(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     23.00  51.00   0.50    3.00    --   14.91   4.00 -26.00   56
  2  \w    -17.00   9.00   0.50    3.00    --   14.91   4.00 -26.00   52
  3  \w    -22.00  29.00   0.50    3.00    --  -13.97 -99.00-180.00  102
  4  \w     19.00  63.00   0.50    3.00    --   14.91-129.00  12.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0652673000
_diffrn_orient_matrix_UB_12      -0.0020450000
_diffrn_orient_matrix_UB_13      0.0690117000
_diffrn_orient_matrix_UB_21      -0.0564363000
_diffrn_orient_matrix_UB_22      -0.0036498000
_diffrn_orient_matrix_UB_23      0.0796278000
_diffrn_orient_matrix_UB_31      0.0010507000
_diffrn_orient_matrix_UB_32      -0.0861669000
_diffrn_orient_matrix_UB_33      -0.0050103000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            1098
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.938
_diffrn_reflns_theta_min         3.506
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    24.224
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.124a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.390
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.876
_refine_diff_density_min         -1.357
_refine_diff_density_rms         0.273
_refine_ls_extinction_coef       0.0012(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         235
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0251P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0474
_refine_ls_wR_factor_ref         0.0486
_reflns_Friedel_coverage         0.000
_reflns_number_gt                210
_reflns_number_total             235
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00156d2.cif
_cod_data_source_block           ov_sjb110_auto
_cod_depositor_comments
'Adding full bibliography for 7720281--7720283.cif.'
_cod_original_cell_volume        454.42(6)
_cod_database_code               7720282
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         EuGa2Te4
_diffrn_oxdiff_digest_hkl
;
43cc69554811acc6aa5efb55dca8a37572446b
;
_olex2_refinement_description
;
1. Others
 Fixed Sof: Sr1(0.0625)
;
_shelx_res_checksum              56223
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.949
_oxdiff_exptl_absorpt_empirical_full_min 0.887