#------------------------------------------------------------------------------
#$Date: 2026-04-05 14:10:21 +0200 (Sun 05 de Apr de 2026) $
#$Revision: 305381 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/02/7720281.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7720281
loop_
_publ_author_name
'Jana, Subhendu'
'Chirantha Edirisinghe, E. A.'
'Mongkhonratanachai, Machima'
'Maggard, Paul A.'
_publ_section_title
;
 Crystal growth of metal tellurides from a boron-tellurium mixture:
 MTr₂Te₄ (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         'Eu Ga2 Te4'
_chemical_formula_sum            'Eu Ga2 Te4'
_chemical_formula_weight         801.80
_space_group_crystal_system      orthorhombic
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_audit_creation_date             2025-01-08
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-01-08 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            8
_cell_length_a                   11.5596(5)
_cell_length_b                   23.0747(9)
_cell_length_c                   6.7187(3)
_cell_measurement_reflns_used    3939
_cell_measurement_temperature    300
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      3.53
_cell_volume                     1792.11(13)
_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_temperature      300.00
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            11320
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.280
_diffrn_reflns_theta_min         3.507
_exptl_absorpt_coefficient_mu    25.552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    5.943
_exptl_crystal_description       block
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   0.7461
_exptl_transmission_factor_min   0.4608
_refine_diff_density_max         3.341
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         1169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0212
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0351P)²+1.2444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0639
_reflns_Friedel_coverage         0.000
_reflns_number_gt                883
_reflns_number_total             1169
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00156d2.cif
_cod_data_source_block           euga2te4
_cod_depositor_comments
'Adding full bibliography for 7720281--7720283.cif.'
_cod_database_code               7720281
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_exptl_absorpt_special_details   SADABS
_olex2_refinement_description
;
;
_shelx_res_file
;
TITL sjb48r1_0ma_a.res in Imma
    euga2te4.res
    created by SHELXL-2019/3 at 14:04:40 on 08-Jan-2025
REM Old TITL SJB48R1_0ma in Ibam
REM SHELXT solution in Imma: R1 0.107, Rweak 0.000, Alpha 0.010
REM <I/s> 0.479 for 81 systematic absences, Orientation a'=c, b'=a, c'=b
REM Formula found by SHELXT: O Ga2 Te5
CELL 0.71073 11.5596 23.0747 6.7187 90 90 90
ZERR 8 0.0005 0.0009 0.0003 0 0 0
LATT 2
SYMM -X,0.5-Y,+Z
SYMM -X,0.5+Y,-Z
SYMM +X,-Y,-Z
SFAC Eu Ga Te
UNIT 8 16 32

L.S. 4 0 0
PLAN  4
TEMP 29.85
CONF
list 4
MORE -1
fmap 2 53
acta
REM <olex2.extras>
REM <HklSrc "%.\\EuGa2Te4.hkl">
REM </olex2.extras>

WGHT    0.035100    1.244400
FVAR       0.09512
EU1   1    0.250000    0.125199    0.250000    10.50000    0.01633    0.01574 =
         0.02581    0.00000   -0.00075    0.00000
GA1   2    0.000000    0.504634    0.251271    10.50000    0.01674    0.01479 =
         0.01060    0.00076    0.00000    0.00000
GA2   2    0.000000    0.250000    0.252430    10.25000    0.01636    0.01531 =
         0.01050    0.00000    0.00000    0.00000
GA3   2    0.000000    0.250000    0.752400    10.25000    0.01792    0.01710 =
         0.01037    0.00000    0.00000    0.00000
TE1   3    0.175675    0.250000    0.002714    10.50000    0.01276    0.01580 =
         0.01315    0.00000   -0.00028    0.00000
TE2   3    0.000000    0.087538    0.014105    10.50000    0.01553    0.01226 =
         0.01328   -0.00106    0.00000    0.00000
TE3   3    0.000000    0.162032    0.502207    10.50000    0.01636    0.01203 =
         0.01398   -0.00046    0.00000    0.00000
TE4   3    0.324290    0.000000    0.000000    10.50000    0.01252    0.01638 =
         0.01362   -0.00284    0.00000    0.00000
HKLF 4




REM  sjb48r1_0ma_a.res in Imma
REM wR2 = 0.0639, GooF = S = 1.080, Restrained GooF = 1.080 for all data
REM R1 = 0.0212 for 883 Fo > 4sig(Fo) and 0.0270 for all 1169 data
REM 43 parameters refined using 0 restraints

END

WGHT      0.0351      1.2277

REM Highest difference peak  3.341,  deepest hole -0.865,  1-sigma level  0.199
Q1    1   0.2500  0.1225 -0.2500  10.50000  0.05    3.34
Q2    1   0.3360  0.1222  0.2648  11.00000  0.05    0.57
Q3    1   0.2410  0.0000  0.0000  10.50000  0.05    0.54
Q4    1   0.0870  0.1631  0.4967  11.00000  0.05    0.53
;
_shelx_res_checksum              40962
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.250000 0.12520(2) 0.250000 0.01930(12) Uani 1 2 d S T P . .
Ga1 Ga 0.000000 0.50463(3) 0.25127(8) 0.01405(17) Uani 1 2 d S T P . .
Ga2 Ga 0.000000 0.250000 0.25243(10) 0.0141(2) Uani 1 4 d S T P . .
Ga3 Ga 0.000000 0.250000 0.75240(10) 0.0151(2) Uani 1 4 d S T P . .
Te1 Te 0.17568(4) 0.250000 0.00271(4) 0.01390(13) Uani 1 2 d S T P . .
Te2 Te 0.000000 0.08754(2) 0.01411(4) 0.01369(12) Uani 1 2 d S T P . .
Te3 Te 0.000000 0.16203(2) 0.50221(4) 0.01412(13) Uani 1 2 d S T P . .
Te4 Te 0.32429(4) 0.000000 0.000000 0.01417(13) Uani 1 2 d S T P . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.01633(17) 0.01574(17) 0.02581(19) 0.000 -0.00075(9) 0.000
Ga1 0.0167(4) 0.0148(3) 0.0106(3) 0.00076(16) 0.000 0.000
Ga2 0.0164(5) 0.0153(4) 0.0105(4) 0.000 0.000 0.000
Ga3 0.0179(5) 0.0171(4) 0.0104(4) 0.000 0.000 0.000
Te1 0.0128(3) 0.0158(2) 0.0131(2) 0.000 -0.00028(9) 0.000
Te2 0.0155(3) 0.0123(2) 0.01328(19) -0.00106(11) 0.000 0.000
Te3 0.0164(3) 0.0120(2) 0.0140(2) -0.00046(9) 0.000 0.000
Te4 0.0125(3) 0.0164(2) 0.0136(2) -0.00284(10) 0.000 0.000
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Te1 Eu1 Te1 66.009(10) . 13 ?
Te1 Eu1 Te3 79.734(9) . . ?
Te1 Eu1 Te3 76.454(10) 13 . ?
Te1 Eu1 Te3 76.453(10) . 14 ?
Te1 Eu1 Te3 79.733(9) 13 14 ?
Te1 Eu1 Te4 151.098(10) . 6_545 ?
Te1 Eu1 Te4 121.932(5) 13 6_545 ?
Te1 Eu1 Te4 151.097(10) 13 . ?
Te1 Eu1 Te4 121.932(5) . . ?
Te2 Eu1 Te1 130.610(10) 14 . ?
Te2 Eu1 Te1 77.097(9) 14 13 ?
Te2 Eu1 Te1 77.097(9) . . ?
Te2 Eu1 Te1 130.610(10) . 13 ?
Te2 Eu1 Te2 150.459(15) . 14 ?
Te2 Eu1 Te3 65.276(7) . . ?
Te2 Eu1 Te3 65.277(7) 14 14 ?
Te2 Eu1 Te3 122.932(6) 14 . ?
Te2 Eu1 Te3 122.932(6) . 14 ?
Te2 Eu1 Te4 76.773(10) . . ?
Te2 Eu1 Te4 76.773(10) 14 6_545 ?
Te2 Eu1 Te4 78.573(9) 14 . ?
Te2 Eu1 Te4 78.573(9) . 6_545 ?
Te3 Eu1 Te3 151.528(15) . 14 ?
Te4 Eu1 Te3 76.062(9) . 14 ?
Te4 Eu1 Te3 130.745(10) . . ?
Te4 Eu1 Te3 130.745(10) 6_545 14 ?
Te4 Eu1 Te3 76.061(9) 6_545 . ?
Te4 Eu1 Te4 66.289(8) 6_545 . ?
Te2 Ga1 Te2 100.17(2) 10_565 2 ?
Te2 Ga1 Te4 117.551(16) 10_565 5_455 ?
Te2 Ga1 Te4 117.551(16) 10_565 13 ?
Te4 Ga1 Te2 110.373(17) 5_455 2 ?
Te4 Ga1 Te2 110.373(17) 13 2 ?
Te4 Ga1 Te4 100.99(2) 13 5_455 ?
Te1 Ga2 Te1 100.87(3) 2 . ?
Te3 Ga2 Te1 113.944(6) 2 . ?
Te3 Ga2 Te1 113.944(5) . . ?
Te3 Ga2 Te1 113.945(5) 2 2 ?
Te3 Ga2 Te1 113.944(5) . 2 ?
Te3 Ga2 Te3 100.83(3) 2 . ?
Te1 Ga3 Te1 100.74(3) 1_556 2_556 ?
Te3 Ga3 Te1 114.005(6) . 2_556 ?
Te3 Ga3 Te1 114.006(6) 2 1_556 ?
Te3 Ga3 Te1 114.005(6) . 1_556 ?
Te3 Ga3 Te1 114.006(6) 2 2_556 ?
Te3 Ga3 Te3 100.74(3) 2 . ?
Eu1 Te1 Eu1 113.992(10) . 13 ?
Ga2 Te1 Eu1 83.380(8) . 13 ?
Ga2 Te1 Eu1 83.380(8) . . ?
Ga2 Te1 Ga3 79.19(2) . 1_554 ?
Ga3 Te1 Eu1 120.086(8) 1_554 13 ?
Ga3 Te1 Eu1 120.086(8) 1_554 . ?
Eu1 Te2 Eu1 115.952(10) 14_455 . ?
Ga1 Te2 Eu1 85.713(10) 2 . ?
Ga1 Te2 Eu1 120.233(7) 10 . ?
Ga1 Te2 Eu1 120.233(7) 10 14_455 ?
Ga1 Te2 Eu1 85.712(10) 2 14_455 ?
Ga1 Te2 Ga1 79.83(2) 10 2 ?
Eu1 Te3 Eu1 113.472(9) . 14_455 ?
Ga2 Te3 Eu1 82.942(9) . . ?
Ga2 Te3 Eu1 82.942(9) . 14_455 ?
Ga2 Te3 Ga3 79.21(2) . . ?
Ga3 Te3 Eu1 120.139(8) . . ?
Ga3 Te3 Eu1 120.140(8) . 14_455 ?
Eu1 Te4 Eu1 151.176(14) 6_544 . ?
Ga1 Te4 Eu1 117.845(15) 13 6_544 ?
Ga1 Te4 Eu1 85.240(13) 13 . ?
Ga1 Te4 Eu1 117.844(15) 5_544 . ?
Ga1 Te4 Eu1 85.240(13) 5_544 6_544 ?
Ga1 Te4 Ga1 79.01(2) 13 5_544 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Te1 3.4339(3) . ?
Eu1 Te1 3.4339(3) 13 ?
Eu1 Te2 3.4086(2) . ?
Eu1 Te2 3.4086(2) 14 ?
Eu1 Te3 3.4562(2) . ?
Eu1 Te3 3.4562(2) 14 ?
Eu1 Te4 3.4503(3) 6_545 ?
Eu1 Te4 3.4503(3) . ?
Ga1 Te2 2.6151(7) 10_565 ?
Ga1 Te2 2.6575(7) 2 ?
Ga1 Te4 2.6325(5) 5_455 ?
Ga1 Te4 2.6325(5) 13 ?
Ga2 Te1 2.6341(6) 2 ?
Ga2 Te1 2.6342(6) . ?
Ga2 Te3 2.6337(5) 2 ?
Ga2 Te3 2.6337(5) . ?
Ga3 Te1 2.6367(6) 1_556 ?
Ga3 Te1 2.6367(6) 2_556 ?
Ga3 Te3 2.6355(6) . ?
Ga3 Te3 2.6355(6) 2 ?
