
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 25/10/2015'

#=======================================================================

# 1. SUBMISSION DETAILS

_publ_contact_author_name                'Valeriy Yu. Verchenko'
_publ_contact_author_address
;
Department of Chemistry, Lomonosov Moscow State University
Leninskie gory 1 building 3
GSP-1 119991 Moscow
Russia
;
_publ_contact_author_email               'verchenko@inorg.chem.msu.ru'
_publ_contact_author_fax                 '+7 (495) 939 4788'
_publ_contact_author_phone               '+7 (495) 939 1200'

_publ_requested_journal                  'Dalton Transactions'

_publ_contact_letter
; ?
;

#=======================================================================

# 2. TITLE AND AUTHOR LIST

_publ_section_title
;
New Fe-based layered telluride Fe3-dAs1-yTe₂: synthesis,
crystal structure and physical properties
;

loop_
 _publ_author_name
 _publ_author_address
'Verchenko, Valeriy'
;
Department of Chemistry,
Lomonosov Moscow State University
Leninskie gory 1 building 3
119991 Moscow
Russia
;
'Sokolov, Sergei'
;
Institute of Nanotechnology and Microelectronics
of the Russian Academy of Sciences
Leninsky avenue 32A
119991 Moscow
Russia
;
'Tsirlin, Alexander'
;
Experimental Physics VI, Center for Electronic Correlations and Magnetism,
Institute of Physics, University of Augsburg
Universitatsstrasse 1
86135 Augsburg
Germany
;
'Sobolev, Alexey'
;
Department of Chemistry,
Lomonosov Moscow State University
Leninskie gory 1 building 3
119991 Moscow
Russia
;
'Presniakov, Igor'
;
Department of Chemistry,
Lomonosov Moscow State University
Leninskie gory 1 building 3
119991 Moscow
Russia
;
'Bykov, Mikhail'
;
Department of Chemistry,
Lomonosov Moscow State University
Leninskie gory 1 building 3
119991 Moscow
Russia
;
'Kirsanova, Maria'
;
Skolkovo Institute of Science and Technology
Skolkovo Innovation Center building 3
143026 Moscow
Russia
;
'Shevelkov, Andrei'
;
Department of Chemistry,
Lomonosov Moscow State University
Leninskie gory 1 building 3
119991 Moscow
Russia
;

#=======================================================================

# 3. CHEMICAL DATA

_chemical_formula_sum                    'As0.96 Fe2.72 Te2'
_chemical_formula_weight                 479

#=======================================================================

# 4. POWDER SPECIMEN AND CRYSTAL DATA

_symmetry_cell_setting                   hexagonal
_symmetry_space_group_name_H-M           'P 63/m m c'
_symmetry_space_group_name_Hall          '-P 6c;-2c'
_symmetry_Int_Tables_number              194

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -y,x-y,z
 3   -x+y,-x,z
 4   -x,-y,z+1/2
 5   y,-x+y,z+1/2
 6   x-y,x,z+1/2
 7   y,x,-z
 8   x-y,-y,-z
 9   -x,-x+y,-z
 10  -y,-x,-z+1/2
 11  -x+y,y,-z+1/2
 12  x,x-y,-z+1/2
 13  -x,-y,-z
 14  y,-x+y,-z
 15  x-y,x,-z
 16  x,y,-z+1/2
 17  -y,x-y,-z+1/2
 18  -x+y,-x,-z+1/2
 19  -y,-x,z
 20  -x+y,y,z
 21  x,x-y,z
 22  y,x,z+1/2
 23  x-y,-y,z+1/2
 24  -x,-x+y,z+1/2

_cell_length_a                           3.85091(9)
_cell_length_b                           3.85091(9)
_cell_length_c                           17.1367(4)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             220.083(9)


_cell_formula_units_Z                    2
_cell_measurement_temperature            300
_cell_measurement_reflns_used            37
_cell_measurement_theta_min              9
_cell_measurement_theta_max              99.992
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            7.2286
_exptl_crystal_F_000                     413
_exptl_absorpt_coefficient_mu            181.529

#=======================================================================

# 5. EXPERIMENTAL DATA

_exptl_special_details                   ?
_pd_instr_location
;
Bruker D8 Advance powder diffractometer provided by the
Lomonosov Moscow State University program of development
;
_pd_calibration_special_details
; ?
;

_diffrn_ambient_temperature              300
_diffrn_source                           x-ray
_diffrn_source_target                    Cu
_diffrn_radiation_wavelength             1.5406
_diffrn_radiation_monochromator          Ge
_diffrn_measurement_device
;
Bruker D8 Advance powder diffractometer
;
_diffrn_detector                         'LYNXEYE detector'

_pd_meas_scan_method                     cont
_pd_meas_special_details
; ?
;
_pd_meas_number_of_points                6053
_pd_meas_2theta_range_min                9.000
_pd_meas_2theta_range_max                99.992
_pd_meas_2theta_range_inc                0.015

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 6. REFINEMENT DATA

_pd_proc_ls_special_details
; ?
;
_pd_proc_ls_profile_function             'Pseudo-Voigt'
_pd_proc_ls_background_function          '10 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr             'March & Dollase'
_pd_proc_ls_prof_R_factor                0.0424
_pd_proc_ls_prof_wR_factor               0.0605
_pd_proc_ls_prof_wR_expected             0.0421

_refine_special_details
; ?
;

_refine_ls_R_factor_gt                   0.0502
_refine_ls_wR_factor_gt                  0.0599
_refine_ls_R_factor_all                  0.0599
_refine_ls_wR_factor_all                 0.0604
_refine_ls_goodness_of_fit_all           1.44
_refine_ls_number_parameters             28
_refine_ls_number_restraints             0
_refine_ls_number_constraints            2
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             ?
_refine_ls_shift/su_max                  0.0435
_refine_ls_shift/su_mean                 0.0071
_refine_diff_density_max                 3.96
_refine_diff_density_min                 -2.22

_pd_proc_2theta_range_min                9
_pd_proc_2theta_range_max                99.992
_pd_proc_2theta_range_inc                0.015
_pd_proc_wavelength                      1.5406

_pd_block_diffractogram_id               ?
_pd_proc_info_excluded_regions           ?
_pd_proc_info_data_reduction             ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 As  -0.9173  1.0337
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Fe  -1.0862  3.1895
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Te  -0.1505  6.4074
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

#=======================================================================

# 7. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Fe1 Fe 0 0 0.6700(2) Uiso 0.0170(9) 4 1 d . . .
  Fe2 Fe 0.666667 0.333333 0.75 Uiso 0.0170(9) 2 0.647(7) d . . .
  Fe3 Fe 0 0 0.5 Uiso 0.0170(9) 2 0.073(8) d . . .
  As1 As 0.333333 0.666667 0.75 Uiso 0.0165(14) 2 0.96 d . . .
  Te1 Te 0.666667 0.333333 0.58915(10) Uiso 0.0103(6) 4 1 d . . .

#=======================================================================

# 8. MOLECULAR GEOMETRY

loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Fe1 Fe1 . 10_556 2.740(6) ?
  Fe1 Fe2 . 1_445 2.612(2) ?
  Fe1 Fe2 . 1_455 2.612(2) ?
  Fe1 Fe2 . . 2.612(2) ?
  Fe1 Fe3 . . 2.914(4) ?
  Fe1 As1 . 1_445 2.612(2) ?
  Fe1 As1 . 1_545 2.612(2) ?
  Fe1 As1 . . 2.612(2) ?
  Fe1 Te1 . 1_445 2.620(2) ?
  Fe1 Te1 . 1_455 2.620(2) ?
  Fe1 Te1 . . 2.620(2) ?
  Fe2 As1 . 1_545 2.22332(14) ?
  Fe2 As1 . . 2.22333(5) ?
  Fe2 As1 . 1_655 2.22332(14) ?
  Fe2 Te1 . . 2.7565(18) ?
  Fe2 Te1 . 10_666 2.7565(18) ?
  Fe3 Te1 . 1_445 2.6976(10) ?
  Fe3 Te1 . 1_455 2.6976(10) ?
  Fe3 Te1 . . 2.6976(10) ?
  Fe3 Te1 . 7_446 2.6976(10) ?
  Fe3 Te1 . 7_546 2.6976(10) ?
  Fe3 Te1 . 7_556 2.6976(10) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  Fe1 Fe1 Fe2 10_556 . 1_445 58.36(8) ?
  Fe1 Fe1 Fe2 10_556 . 1_455 58.36(8) ?
  Fe1 Fe1 Fe2 10_556 . . 58.36(8) ?
  Fe1 Fe1 Fe3 10_556 . . 180.0(5) ?
  Fe1 Fe1 As1 10_556 . 1_445 58.36(8) ?
  Fe1 Fe1 As1 10_556 . 1_545 58.36(8) ?
  Fe1 Fe1 As1 10_556 . . 58.36(8) ?
  Fe1 Fe1 Te1 10_556 . 1_445 121.95(9) ?
  Fe1 Fe1 Te1 10_556 . 1_455 121.95(9) ?
  Fe1 Fe1 Te1 10_556 . . 121.95(9) ?
  Fe2 Fe1 Fe2 1_445 . 1_455 95.00(11) ?
  Fe2 Fe1 Fe2 1_445 . . 95.00(11) ?
  Fe2 Fe1 Fe3 1_445 . . 121.64(8) ?
  Fe2 Fe1 As1 1_445 . 1_445 50.39(5) ?
  Fe2 Fe1 As1 1_445 . 1_545 50.39(5) ?
  Fe2 Fe1 As1 1_445 . . 116.71(16) ?
  Fe2 Fe1 Te1 1_445 . 1_445 63.59(3) ?
  Fe2 Fe1 Te1 1_445 . 1_455 129.702(9) ?
  Fe2 Fe1 Te1 1_445 . . 129.702(9) ?
  Fe2 Fe1 Fe2 1_455 . . 95.00(11) ?
  Fe2 Fe1 Fe3 1_455 . . 121.64(8) ?
  Fe2 Fe1 As1 1_455 . 1_445 50.39(5) ?
  Fe2 Fe1 As1 1_455 . 1_545 116.71(16) ?
  Fe2 Fe1 As1 1_455 . . 50.39(5) ?
  Fe2 Fe1 Te1 1_455 . 1_445 129.702(9) ?
  Fe2 Fe1 Te1 1_455 . 1_455 63.59(3) ?
  Fe2 Fe1 Te1 1_455 . . 129.702(9) ?
  Fe2 Fe1 Fe3 . . . 121.64(8) ?
  Fe2 Fe1 As1 . . 1_445 116.71(16) ?
  Fe2 Fe1 As1 . . 1_545 50.39(5) ?
  Fe2 Fe1 As1 . . . 50.39(5) ?
  Fe2 Fe1 Te1 . . 1_445 129.702(9) ?
  Fe2 Fe1 Te1 . . 1_455 129.702(9) ?
  Fe2 Fe1 Te1 . . . 63.59(3) ?
  Fe3 Fe1 As1 . . 1_445 121.64(8) ?
  Fe3 Fe1 As1 . . 1_545 121.64(8) ?
  Fe3 Fe1 As1 . . . 121.64(8) ?
  Fe3 Fe1 Te1 . . 1_445 58.05(9) ?
  Fe3 Fe1 Te1 . . 1_455 58.05(9) ?
  Fe3 Fe1 Te1 . . . 58.05(9) ?
  As1 Fe1 As1 1_445 . 1_545 95.00(11) ?
  As1 Fe1 As1 1_445 . . 95.00(11) ?
  As1 Fe1 Te1 1_445 . 1_445 85.20(2) ?
  As1 Fe1 Te1 1_445 . 1_455 85.20(2) ?
  As1 Fe1 Te1 1_445 . . 179.70(16) ?
  As1 Fe1 As1 1_545 . . 95.00(11) ?
  As1 Fe1 Te1 1_545 . 1_445 85.20(2) ?
  As1 Fe1 Te1 1_545 . 1_455 179.70(16) ?
  As1 Fe1 Te1 1_545 . . 85.20(2) ?
  As1 Fe1 Te1 . . 1_445 179.70(16) ?
  As1 Fe1 Te1 . . 1_455 85.20(2) ?
  As1 Fe1 Te1 . . . 85.20(2) ?
  Te1 Fe1 Te1 1_445 . 1_455 94.59(11) ?
  Te1 Fe1 Te1 1_445 . . 94.59(11) ?
  Te1 Fe1 Te1 1_455 . . 94.59(11) ?
  Fe1 Fe2 Fe1 . . 1_655 95.00(8) ?
  Fe1 Fe2 Fe1 . . 1_665 95.00(8) ?
  Fe1 Fe2 Fe1 . . 10_556 63.29(11) ?
  Fe1 Fe2 Fe1 . . 10_656 129.61(3) ?
  Fe1 Fe2 Fe1 . . 10_666 129.61(3) ?
  Fe1 Fe2 As1 . . 1_545 64.81(2) ?
  Fe1 Fe2 As1 . . . 64.81(2) ?
  Fe1 Fe2 As1 . . 1_655 148.36(8) ?
  Fe1 Fe2 Te1 . . . 58.36(8) ?
  Fe1 Fe2 Te1 . . 10_666 121.64(8) ?
  Fe1 Fe2 Fe1 1_655 . 1_665 95.00(8) ?
  Fe1 Fe2 Fe1 1_655 . 10_556 129.61(3) ?
  Fe1 Fe2 Fe1 1_655 . 10_656 63.29(11) ?
  Fe1 Fe2 Fe1 1_655 . 10_666 129.61(3) ?
  Fe1 Fe2 As1 1_655 . 1_545 64.81(2) ?
  Fe1 Fe2 As1 1_655 . . 148.36(8) ?
  Fe1 Fe2 As1 1_655 . 1_655 64.81(2) ?
  Fe1 Fe2 Te1 1_655 . . 58.36(8) ?
  Fe1 Fe2 Te1 1_655 . 10_666 121.64(8) ?
  Fe1 Fe2 Fe1 1_665 . 10_556 129.61(3) ?
  Fe1 Fe2 Fe1 1_665 . 10_656 129.61(3) ?
  Fe1 Fe2 Fe1 1_665 . 10_666 63.29(11) ?
  Fe1 Fe2 As1 1_665 . 1_545 148.36(8) ?
  Fe1 Fe2 As1 1_665 . . 64.81(2) ?
  Fe1 Fe2 As1 1_665 . 1_655 64.81(2) ?
  Fe1 Fe2 Te1 1_665 . . 58.36(8) ?
  Fe1 Fe2 Te1 1_665 . 10_666 121.64(8) ?
  Fe1 Fe2 Fe1 10_556 . 10_656 95.00(8) ?
  Fe1 Fe2 Fe1 10_556 . 10_666 95.00(8) ?
  Fe1 Fe2 As1 10_556 . 1_545 64.81(2) ?
  Fe1 Fe2 As1 10_556 . . 64.81(2) ?
  Fe1 Fe2 As1 10_556 . 1_655 148.36(8) ?
  Fe1 Fe2 Te1 10_556 . . 121.64(8) ?
  Fe1 Fe2 Te1 10_556 . 10_666 58.36(8) ?
  Fe1 Fe2 Fe1 10_656 . 10_666 95.00(8) ?
  Fe1 Fe2 As1 10_656 . 1_545 64.81(2) ?
  Fe1 Fe2 As1 10_656 . . 148.36(8) ?
  Fe1 Fe2 As1 10_656 . 1_655 64.81(2) ?
  Fe1 Fe2 Te1 10_656 . . 121.64(8) ?
  Fe1 Fe2 Te1 10_656 . 10_666 58.36(8) ?
  Fe1 Fe2 As1 10_666 . 1_545 148.36(8) ?
  Fe1 Fe2 As1 10_666 . . 64.81(2) ?
  Fe1 Fe2 As1 10_666 . 1_655 64.81(2) ?
  Fe1 Fe2 Te1 10_666 . . 121.64(8) ?
  Fe1 Fe2 Te1 10_666 . 10_666 58.36(8) ?
  As1 Fe2 As1 1_545 . . 119.9999(18) ?
  As1 Fe2 As1 1_545 . 1_655 120.0002(15) ?
  As1 Fe2 Te1 1_545 . . 90 ?
  As1 Fe2 Te1 1_545 . 10_666 90 ?
  As1 Fe2 As1 . . 1_655 119.9999(18) ?
  As1 Fe2 Te1 . . . 90 ?
  As1 Fe2 Te1 . . 10_666 90 ?
  As1 Fe2 Te1 1_655 . . 90 ?
  As1 Fe2 Te1 1_655 . 10_666 90 ?
  Te1 Fe2 Te1 . . 10_666 180.0(5) ?
  Fe1 Fe3 Fe1 . . 7_556 180.0(5) ?
  Fe1 Fe3 Te1 . . 1_445 55.51(3) ?
  Fe1 Fe3 Te1 . . 1_455 55.51(3) ?
  Fe1 Fe3 Te1 . . . 55.51(3) ?
  Fe1 Fe3 Te1 . . 7_446 124.49(3) ?
  Fe1 Fe3 Te1 . . 7_546 124.49(3) ?
  Fe1 Fe3 Te1 . . 7_556 124.49(3) ?
  Fe1 Fe3 Te1 7_556 . 1_445 124.49(3) ?
  Fe1 Fe3 Te1 7_556 . 1_455 124.49(3) ?
  Fe1 Fe3 Te1 7_556 . . 124.49(3) ?
  Fe1 Fe3 Te1 7_556 . 7_446 55.51(3) ?
  Fe1 Fe3 Te1 7_556 . 7_546 55.51(3) ?
  Fe1 Fe3 Te1 7_556 . 7_556 55.51(3) ?
  Te1 Fe3 Te1 1_445 . 1_455 91.09(3) ?
  Te1 Fe3 Te1 1_445 . . 91.09(3) ?
  Te1 Fe3 Te1 1_445 . 7_446 88.91(3) ?
  Te1 Fe3 Te1 1_445 . 7_546 88.91(3) ?
  Te1 Fe3 Te1 1_445 . 7_556 180.0(5) ?
  Te1 Fe3 Te1 1_455 . . 91.09(3) ?
  Te1 Fe3 Te1 1_455 . 7_446 88.91(3) ?
  Te1 Fe3 Te1 1_455 . 7_546 180.0(5) ?
  Te1 Fe3 Te1 1_455 . 7_556 88.91(3) ?
  Te1 Fe3 Te1 . . 7_446 180.0(5) ?
  Te1 Fe3 Te1 . . 7_546 88.91(3) ?
  Te1 Fe3 Te1 . . 7_556 88.91(3) ?
  Te1 Fe3 Te1 7_446 . 7_546 91.09(3) ?
  Te1 Fe3 Te1 7_446 . 7_556 91.09(3) ?
  Te1 Fe3 Te1 7_546 . 7_556 91.09(3) ?
  Fe1 As1 Fe1 . . 1_565 95.00(8) ?
  Fe1 As1 Fe1 . . 1_665 95.00(8) ?
  Fe1 As1 Fe1 . . 10_556 63.29(11) ?
  Fe1 As1 Fe1 . . 10_566 129.61(3) ?
  Fe1 As1 Fe1 . . 10_666 129.61(3) ?
  Fe1 As1 Fe2 . . 1_455 64.81(2) ?
  Fe1 As1 Fe2 . . . 64.81(2) ?
  Fe1 As1 Fe2 . . 1_565 148.36(8) ?
  Fe1 As1 Fe1 1_565 . 1_665 95.00(8) ?
  Fe1 As1 Fe1 1_565 . 10_556 129.61(3) ?
  Fe1 As1 Fe1 1_565 . 10_566 63.29(11) ?
  Fe1 As1 Fe1 1_565 . 10_666 129.61(3) ?
  Fe1 As1 Fe2 1_565 . 1_455 64.81(2) ?
  Fe1 As1 Fe2 1_565 . . 148.36(8) ?
  Fe1 As1 Fe2 1_565 . 1_565 64.81(2) ?
  Fe1 As1 Fe1 1_665 . 10_556 129.61(3) ?
  Fe1 As1 Fe1 1_665 . 10_566 129.61(3) ?
  Fe1 As1 Fe1 1_665 . 10_666 63.29(11) ?
  Fe1 As1 Fe2 1_665 . 1_455 148.36(8) ?
  Fe1 As1 Fe2 1_665 . . 64.81(2) ?
  Fe1 As1 Fe2 1_665 . 1_565 64.81(2) ?
  Fe1 As1 Fe1 10_556 . 10_566 95.00(8) ?
  Fe1 As1 Fe1 10_556 . 10_666 95.00(8) ?
  Fe1 As1 Fe2 10_556 . 1_455 64.81(2) ?
  Fe1 As1 Fe2 10_556 . . 64.81(2) ?
  Fe1 As1 Fe2 10_556 . 1_565 148.36(8) ?
  Fe1 As1 Fe1 10_566 . 10_666 95.00(8) ?
  Fe1 As1 Fe2 10_566 . 1_455 64.81(2) ?
  Fe1 As1 Fe2 10_566 . . 148.36(8) ?
  Fe1 As1 Fe2 10_566 . 1_565 64.81(2) ?
  Fe1 As1 Fe2 10_666 . 1_455 148.36(8) ?
  Fe1 As1 Fe2 10_666 . . 64.81(2) ?
  Fe1 As1 Fe2 10_666 . 1_565 64.81(2) ?
  Fe2 As1 Fe2 1_455 . . 119.9999(18) ?
  Fe2 As1 Fe2 1_455 . 1_565 120.0002(15) ?
  Fe2 As1 Fe2 . . 1_565 119.9999(18) ?
  Fe1 Te1 Fe1 . . 1_655 94.59(9) ?
  Fe1 Te1 Fe1 . . 1_665 94.59(9) ?
  Fe1 Te1 Fe2 . . . 58.05(9) ?
  Fe1 Te1 Fe3 . . . 66.44(8) ?
  Fe1 Te1 Fe3 . . 1_655 130.49(3) ?
  Fe1 Te1 Fe3 . . 1_665 130.49(3) ?
  Fe1 Te1 Fe1 1_655 . 1_665 94.59(9) ?
  Fe1 Te1 Fe2 1_655 . . 58.05(9) ?
  Fe1 Te1 Fe3 1_655 . . 130.49(3) ?
  Fe1 Te1 Fe3 1_655 . 1_655 66.44(8) ?
  Fe1 Te1 Fe3 1_655 . 1_665 130.49(3) ?
  Fe1 Te1 Fe2 1_665 . . 58.05(9) ?
  Fe1 Te1 Fe3 1_665 . . 130.49(3) ?
  Fe1 Te1 Fe3 1_665 . 1_655 130.49(3) ?
  Fe1 Te1 Fe3 1_665 . 1_665 66.44(8) ?
  Fe2 Te1 Fe3 . . . 124.49(3) ?
  Fe2 Te1 Fe3 . . 1_655 124.49(3) ?
  Fe2 Te1 Fe3 . . 1_665 124.49(3) ?
  Fe3 Te1 Fe3 . . 1_655 91.09(4) ?
  Fe3 Te1 Fe3 . . 1_665 91.09(4) ?
  Fe3 Te1 Fe3 1_655 . 1_665 91.09(4) ?