data_spiridonovite
_audit_creation_method SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common 'spiridonovite'
_chemical_melting_point ?
_chemical_formula_moiety
'Ag0.75 Cu1.25 Te'
_chemical_formula_sum
'Ag0.75 Cu1.25 Te'
_chemical_formula_weight 287.93
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'Ag' 'Ag' -0.8971 1.1015
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Cu' 'Cu' 0.3201 1.2651
'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'
_symmetry_cell_setting 'hexagonal'
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
_cell_length_a 4.6297(17)
_cell_length_b 4.6297(17)
_cell_length_c 22.550(10)
_cell_angle_alpha 90.00
_cell_angle_beta 90.00
_cell_angle_gamma 120.00
_cell_volume 418.6(3)
_cell_formula_units_Z 6
_cell_measurement_temperature 293(2)
_cell_measurement_reflns_used 555
_cell_measurement_theta_min 5.9
_cell_measurement_theta_max 11.8
_exptl_crystal_description block
_exptl_crystal_colour black
_exptl_crystal_size_max 0.060
_exptl_crystal_size_mid 0.050
_exptl_crystal_size_min 0.040
_exptl_crystal_density_meas ?
_exptl_crystal_density_diffrn 6.853
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 741
_exptl_absorpt_correction_type 'multi-scan'
_exptl_absorpt_correction_T_min 0.925
_exptl_absorpt_correction_T_max 0.988
_exptl_absorpt_process_details
'(ABSPACK; Oxford Diffraction, 2006)'
_exptl_special_details
;
?
;
_diffrn_ambient_temperature 293(2)
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_type MoK\a
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_monochromator graphite
_diffrn_measurement_device_type 'Oxford Xcalibur 3'
_diffrn_measurement_method '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time .
_diffrn_standards_decay_% ?
_diffrn_reflns_number 2155
_diffrn_reflns_av_R_equivalents 0.0312
_diffrn_reflns_av_sigmaI/netI 0.0270
_diffrn_reflns_limit_h_min -5
_diffrn_reflns_limit_h_max 5
_diffrn_reflns_limit_k_min -6
_diffrn_reflns_limit_k_max 6
_diffrn_reflns_limit_l_min -32
_diffrn_reflns_limit_l_max 32
_diffrn_reflns_theta_min 5.08
_diffrn_reflns_theta_max 32.15
_reflns_number_total 435
_reflns_number_gt 103
_reflns_threshold_expression >2sigma(I)
_computing_data_collection 'CrysAlis (Oxford Diffraction, 2006)'
_computing_cell_refinement 'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction 'CrysAlis (Oxford Diffraction, 2006)'
_computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics 'DIAMOND (Brandenburg, 2001)'
_computing_publication_material 'SHELXL-97 (Sheldrick, 2008)'
_refine_special_details
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0418P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_atom_sites_solution_hydrogens .
_refine_ls_hydrogen_treatment .
_refine_ls_extinction_method none
_refine_ls_extinction_coef ?
_refine_ls_number_reflns 435
_refine_ls_number_parameters 18
_refine_ls_number_restraints 0
_refine_ls_R_factor_all 0.0304
_refine_ls_R_factor_gt 0.0256
_refine_ls_wR_factor_ref 0.0696
_refine_ls_wR_factor_gt 0.0591
_refine_ls_goodness_of_fit_ref 0.991
_refine_ls_restrained_S_all 0.991
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.0000 0.0000 0.37419(7) 0.0623(5) Uani 0.396(12) 3 d SP . .
Cu1 Cu 0.0000 0.0000 0.37419(7) 0.0623(5) Uani 0.604(12) 3 d SP . .
Ag2 Ag 0.3333 0.6667 0.79165(7) 0.0628(4) Uani 0.358(11) 3 d SP . .
Cu2 Cu 0.3333 0.6667 0.79165(7) 0.0628(4) Uani 0.642(11) 3 d SP . .
Ag3 Ag 0.3333 0.6667 0.04146(7) 0.0634(4) Uani 0.452(11) 3 d SP . .
Cu3 Cu 0.3333 0.6667 0.04146(7) 0.0634(4) Uani 0.548(11) 3 d SP . .
Te1 Te 0.0000 0.0000 0.0000 0.0646(5) Uani 1 6 d S . .
Te2 Te 0.3333 0.6667 0.66635(3) 0.0699(5) Uani 1 3 d S . .
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
Ag1 0.0603(5) 0.0603(5) 0.0663(10) 0.000 0.000 0.0302(3)
Cu1 0.0603(5) 0.0603(5) 0.0663(10) 0.000 0.000 0.0302(3)
Ag2 0.0644(5) 0.0644(5) 0.0597(8) 0.000 0.000 0.0322(2)
Cu2 0.0644(5) 0.0644(5) 0.0597(8) 0.000 0.000 0.0322(2)
Ag3 0.0605(5) 0.0605(5) 0.0693(8) 0.000 0.000 0.0302(2)
Cu3 0.0605(5) 0.0605(5) 0.0693(8) 0.000 0.000 0.0302(2)
Te1 0.0658(6) 0.0658(6) 0.0622(9) 0.000 0.000 0.0329(3)
Te2 0.0684(5) 0.0684(5) 0.0731(8) 0.000 0.000 0.0342(3)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ag1 Te2 2.8250(11) 7_566 ?
Ag1 Te2 2.8250(11) 7_556 ?
Ag1 Te2 2.8250(11) 7_666 ?
Ag1 Te1 2.8370(19) 4 ?
Ag1 Ag2 3.2572(19) 10 ?
Ag1 Ag2 3.2572(19) 10_655 ?
Ag1 Ag2 3.2572(19) 10_665 ?
Ag1 Ag3 3.2806(19) 4_455 ?
Ag1 Ag3 3.2806(19) 4 ?
Ag1 Ag3 3.2806(19) 4_445 ?
Ag2 Te2 2.826(2) . ?
Ag2 Te2 2.8358(11) 4_566 ?
Ag2 Te2 2.8358(11) 4_456 ?
Ag2 Te2 2.8358(11) 4_556 ?
Ag2 Ag1 3.2572(19) 10_666 ?
Ag2 Ag1 3.2572(19) 10_566 ?
Ag2 Ag1 3.2572(19) 10_556 ?
Ag2 Ag2 3.267(2) 4_456 ?
Ag2 Ag2 3.267(2) 4_566 ?
Ag2 Ag2 3.267(2) 4_556 ?
Ag3 Te2 2.816(2) 10_665 ?
Ag3 Te1 2.8318(11) 1_565 ?
Ag3 Te1 2.8318(11) . ?
Ag3 Te1 2.8318(11) 1_665 ?
Ag3 Ag3 3.262(2) 7_565 ?
Ag3 Ag3 3.262(2) 7_675 ?
Ag3 Ag3 3.262(2) 7_665 ?
Ag3 Ag1 3.2806(19) 4_565 ?
Ag3 Ag1 3.2806(19) 4_665 ?
Ag3 Ag1 3.2806(19) 4 ?
Te1 Cu3 2.8318(11) 7_565 ?
Te1 Cu3 2.8318(11) 1_545 ?
Te1 Ag3 2.8318(11) 7_565 ?
Te1 Ag3 2.8318(11) 1_545 ?
Te1 Cu3 2.8318(11) 7 ?
Te1 Ag3 2.8318(11) 7 ?
Te1 Cu3 2.8318(11) 7_665 ?
Te1 Ag3 2.8318(11) 1_445 ?
Te1 Cu3 2.8318(11) 1_445 ?
Te1 Ag3 2.8318(11) 7_665 ?
Te2 Cu3 2.816(2) 10_666 ?
Te2 Ag3 2.816(2) 10_666 ?
Te2 Cu1 2.8250(11) 7_566 ?
Te2 Ag1 2.8250(11) 7_566 ?
Te2 Ag1 2.8250(11) 7_556 ?
Te2 Cu1 2.8250(11) 7_556 ?
Te2 Cu1 2.8250(11) 7_666 ?
Te2 Ag1 2.8250(11) 7_666 ?
Te2 Cu2 2.8358(11) 4_566 ?
Te2 Ag2 2.8358(11) 4_566 ?
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
Te2 Ag1 Te2 110.05(4) 7_566 7_556 ?
Te2 Ag1 Te2 110.05(4) 7_566 7_666 ?
Te2 Ag1 Te2 110.05(4) 7_556 7_666 ?
Te2 Ag1 Te1 108.88(4) 7_566 4 ?
Te2 Ag1 Te1 108.88(4) 7_556 4 ?
Te2 Ag1 Te1 108.88(4) 7_666 4 ?
Te2 Ag1 Ag2 55.027(18) 7_566 10 ?
Te2 Ag1 Ag2 55.027(18) 7_556 10 ?
Te2 Ag1 Ag2 126.26(8) 7_666 10 ?
Te1 Ag1 Ag2 124.85(4) 4 10 ?
Te2 Ag1 Ag2 126.26(8) 7_566 10_655 ?
Te2 Ag1 Ag2 55.027(18) 7_556 10_655 ?
Te2 Ag1 Ag2 55.027(18) 7_666 10_655 ?
Te1 Ag1 Ag2 124.85(4) 4 10_655 ?
Ag2 Ag1 Ag2 90.58(6) 10 10_655 ?
Te2 Ag1 Ag2 55.027(18) 7_566 10_665 ?
Te2 Ag1 Ag2 126.26(8) 7_556 10_665 ?
Te2 Ag1 Ag2 55.027(18) 7_666 10_665 ?
Te1 Ag1 Ag2 124.85(4) 4 10_665 ?
Ag2 Ag1 Ag2 90.58(6) 10 10_665 ?
Ag2 Ag1 Ag2 90.58(6) 10_655 10_665 ?
Te2 Ag1 Ag3 54.32(4) 7_566 4_455 ?
Te2 Ag1 Ag3 124.967(19) 7_556 4_455 ?
Te2 Ag1 Ag3 124.967(19) 7_666 4_455 ?
Te1 Ag1 Ag3 54.57(4) 4 4_455 ?
Ag2 Ag1 Ag3 89.83(3) 10 4_455 ?
Ag2 Ag1 Ag3 179.42(8) 10_655 4_455 ?
Ag2 Ag1 Ag3 89.83(3) 10_665 4_455 ?
Te2 Ag1 Ag3 124.967(19) 7_566 4 ?
Te2 Ag1 Ag3 124.967(19) 7_556 4 ?
Te2 Ag1 Ag3 54.32(4) 7_666 4 ?
Te1 Ag1 Ag3 54.57(4) 4 4 ?
Ag2 Ag1 Ag3 179.42(8) 10 4 ?
Ag2 Ag1 Ag3 89.83(3) 10_655 4 ?
Ag2 Ag1 Ag3 89.83(3) 10_665 4 ?
Ag3 Ag1 Ag3 89.76(6) 4_455 4 ?
Te2 Ag1 Ag3 124.967(19) 7_566 4_445 ?
Te2 Ag1 Ag3 54.32(4) 7_556 4_445 ?
Te2 Ag1 Ag3 124.967(19) 7_666 4_445 ?
Te1 Ag1 Ag3 54.57(4) 4 4_445 ?
Ag2 Ag1 Ag3 89.83(3) 10 4_445 ?
Ag2 Ag1 Ag3 89.83(3) 10_655 4_445 ?
Ag2 Ag1 Ag3 179.42(8) 10_665 4_445 ?
Ag3 Ag1 Ag3 89.76(6) 4_455 4_445 ?
Ag3 Ag1 Ag3 89.76(6) 4 4_445 ?
Te2 Ag2 Te2 109.51(4) . 4_566 ?
Te2 Ag2 Te2 109.51(4) . 4_456 ?
Te2 Ag2 Te2 109.43(4) 4_566 4_456 ?
Te2 Ag2 Te2 109.51(4) . 4_556 ?
Te2 Ag2 Te2 109.43(4) 4_566 4_556 ?
Te2 Ag2 Te2 109.43(4) 4_456 4_556 ?
Te2 Ag2 Ag1 124.85(4) . 10_666 ?
Te2 Ag2 Ag1 54.718(18) 4_566 10_666 ?
Te2 Ag2 Ag1 125.64(8) 4_456 10_666 ?
Te2 Ag2 Ag1 54.718(18) 4_556 10_666 ?
Te2 Ag2 Ag1 124.85(4) . 10_566 ?
Te2 Ag2 Ag1 54.718(18) 4_566 10_566 ?
Te2 Ag2 Ag1 54.718(18) 4_456 10_566 ?
Te2 Ag2 Ag1 125.64(8) 4_556 10_566 ?
Ag1 Ag2 Ag1 90.58(6) 10_666 10_566 ?
Te2 Ag2 Ag1 124.85(4) . 10_556 ?
Te2 Ag2 Ag1 125.64(8) 4_566 10_556 ?
Te2 Ag2 Ag1 54.718(18) 4_456 10_556 ?
Te2 Ag2 Ag1 54.718(18) 4_556 10_556 ?
Ag1 Ag2 Ag1 90.58(6) 10_666 10_556 ?
Ag1 Ag2 Ag1 90.58(6) 10_566 10_556 ?
Te2 Ag2 Ag2 54.90(5) . 4_456 ?
Te2 Ag2 Ag2 125.283(18) 4_566 4_456 ?
Te2 Ag2 Ag2 54.61(3) 4_456 4_456 ?
Te2 Ag2 Ag2 125.283(18) 4_556 4_456 ?
Ag1 Ag2 Ag2 179.75(9) 10_666 4_456 ?
Ag1 Ag2 Ag2 89.59(3) 10_566 4_456 ?
Ag1 Ag2 Ag2 89.59(3) 10_556 4_456 ?
Te2 Ag2 Ag2 54.90(5) . 4_566 ?
Te2 Ag2 Ag2 54.61(3) 4_566 4_566 ?
Te2 Ag2 Ag2 125.283(18) 4_456 4_566 ?
Te2 Ag2 Ag2 125.283(18) 4_556 4_566 ?
Ag1 Ag2 Ag2 89.59(3) 10_666 4_566 ?
Ag1 Ag2 Ag2 89.59(3) 10_566 4_566 ?
Ag1 Ag2 Ag2 179.75(9) 10_556 4_566 ?
Ag2 Ag2 Ag2 90.23(7) 4_456 4_566 ?
Te2 Ag2 Ag2 54.90(5) . 4_556 ?
Te2 Ag2 Ag2 125.283(18) 4_566 4_556 ?
Te2 Ag2 Ag2 125.283(18) 4_456 4_556 ?
Te2 Ag2 Ag2 54.61(3) 4_556 4_556 ?
Ag1 Ag2 Ag2 89.59(3) 10_666 4_556 ?
Ag1 Ag2 Ag2 179.75(9) 10_566 4_556 ?
Ag1 Ag2 Ag2 89.59(3) 10_556 4_556 ?
Ag2 Ag2 Ag2 90.23(7) 4_456 4_556 ?
Ag2 Ag2 Ag2 90.23(7) 4_566 4_556 ?
Te2 Ag3 Te1 109.28(3) 10_665 1_565 ?
Te2 Ag3 Te1 109.28(3) 10_665 . ?
Te1 Ag3 Te1 109.66(3) 1_565 . ?
Te2 Ag3 Te1 109.28(3) 10_665 1_665 ?
Te1 Ag3 Te1 109.66(3) 1_565 1_665 ?
Te1 Ag3 Te1 109.66(3) . 1_665 ?
Te2 Ag3 Ag3 124.98(5) 10_665 7_565 ?
Te1 Ag3 Ag3 54.831(16) 1_565 7_565 ?
Te1 Ag3 Ag3 54.831(16) . 7_565 ?
Te1 Ag3 Ag3 125.75(8) 1_665 7_565 ?
Te2 Ag3 Ag3 124.98(5) 10_665 7_675 ?
Te1 Ag3 Ag3 54.831(16) 1_565 7_675 ?
Te1 Ag3 Ag3 125.75(8) . 7_675 ?
Te1 Ag3 Ag3 54.831(16) 1_665 7_675 ?
Ag3 Ag3 Ag3 90.41(7) 7_565 7_675 ?
Te2 Ag3 Ag3 124.98(5) 10_665 7_665 ?
Te1 Ag3 Ag3 125.75(8) 1_565 7_665 ?
Te1 Ag3 Ag3 54.831(16) . 7_665 ?
Te1 Ag3 Ag3 54.831(16) 1_665 7_665 ?
Ag3 Ag3 Ag3 90.41(7) 7_565 7_665 ?
Ag3 Ag3 Ag3 90.41(7) 7_675 7_665 ?
Te2 Ag3 Ag1 54.57(4) 10_665 4_565 ?
Te1 Ag3 Ag1 54.71(3) 1_565 4_565 ?
Te1 Ag3 Ag1 125.167(17) . 4_565 ?
Te1 Ag3 Ag1 125.167(17) 1_665 4_565 ?
Ag3 Ag3 Ag1 89.92(3) 7_565 4_565 ?
Ag3 Ag3 Ag1 89.92(3) 7_675 4_565 ?
Ag3 Ag3 Ag1 179.54(8) 7_665 4_565 ?
Te2 Ag3 Ag1 54.57(4) 10_665 4_665 ?
Te1 Ag3 Ag1 125.167(17) 1_565 4_665 ?
Te1 Ag3 Ag1 125.167(17) . 4_665 ?
Te1 Ag3 Ag1 54.71(3) 1_665 4_665 ?
Ag3 Ag3 Ag1 179.54(8) 7_565 4_665 ?
Ag3 Ag3 Ag1 89.92(3) 7_675 4_665 ?
Ag3 Ag3 Ag1 89.92(3) 7_665 4_665 ?
Ag1 Ag3 Ag1 89.76(6) 4_565 4_665 ?
Te2 Ag3 Ag1 54.57(4) 10_665 4 ?
Te1 Ag3 Ag1 125.167(17) 1_565 4 ?
Te1 Ag3 Ag1 54.71(3) . 4 ?
Te1 Ag3 Ag1 125.167(17) 1_665 4 ?
Ag3 Ag3 Ag1 89.92(3) 7_565 4 ?
Ag3 Ag3 Ag1 179.54(8) 7_675 4 ?
Ag3 Ag3 Ag1 89.92(3) 7_665 4 ?
Ag1 Ag3 Ag1 89.76(6) 4_565 4 ?
Ag1 Ag3 Ag1 89.76(6) 4_665 4 ?
Cu3 Te1 Cu3 180.00(6) 7_565 1_545 ?
Cu3 Te1 Ag3 0.00(6) 7_565 7_565 ?
Cu3 Te1 Ag3 180.00(6) 1_545 7_565 ?
Cu3 Te1 Ag3 180.00(6) 7_565 1_545 ?
Cu3 Te1 Ag3 0.00(6) 1_545 1_545 ?
Ag3 Te1 Ag3 180.00(6) 7_565 1_545 ?
Cu3 Te1 Ag3 70.34(3) 7_565 . ?
Cu3 Te1 Ag3 109.66(3) 1_545 . ?
Ag3 Te1 Ag3 70.34(3) 7_565 . ?
Ag3 Te1 Ag3 109.66(3) 1_545 . ?
Cu3 Te1 Cu3 109.66(3) 7_565 7 ?
Cu3 Te1 Cu3 70.34(3) 1_545 7 ?
Ag3 Te1 Cu3 109.66(3) 7_565 7 ?
Ag3 Te1 Cu3 70.34(3) 1_545 7 ?
Ag3 Te1 Cu3 180.00(6) . 7 ?
Cu3 Te1 Ag3 109.66(3) 7_565 7 ?
Cu3 Te1 Ag3 70.34(3) 1_545 7 ?
Ag3 Te1 Ag3 109.66(3) 7_565 7 ?
Ag3 Te1 Ag3 70.34(3) 1_545 7 ?
Ag3 Te1 Ag3 180.00(6) . 7 ?
Cu3 Te1 Ag3 0.00(6) 7 7 ?
Cu3 Te1 Cu3 109.66(3) 7_565 7_665 ?
Cu3 Te1 Cu3 70.34(3) 1_545 7_665 ?
Ag3 Te1 Cu3 109.66(3) 7_565 7_665 ?
Ag3 Te1 Cu3 70.34(3) 1_545 7_665 ?
Ag3 Te1 Cu3 70.34(3) . 7_665 ?
Cu3 Te1 Cu3 109.66(3) 7 7_665 ?
Ag3 Te1 Cu3 109.66(3) 7 7_665 ?
Cu3 Te1 Ag3 70.34(3) 7_565 1_445 ?
Cu3 Te1 Ag3 109.66(3) 1_545 1_445 ?
Ag3 Te1 Ag3 70.34(3) 7_565 1_445 ?
Ag3 Te1 Ag3 109.66(3) 1_545 1_445 ?
Ag3 Te1 Ag3 109.66(3) . 1_445 ?
Cu3 Te1 Ag3 70.34(3) 7 1_445 ?
Ag3 Te1 Ag3 70.34(3) 7 1_445 ?
Cu3 Te1 Ag3 180.00(6) 7_665 1_445 ?
Cu3 Te1 Cu3 70.34(3) 7_565 1_445 ?
Cu3 Te1 Cu3 109.66(3) 1_545 1_445 ?
Ag3 Te1 Cu3 70.34(3) 7_565 1_445 ?
Ag3 Te1 Cu3 109.66(3) 1_545 1_445 ?
Ag3 Te1 Cu3 109.66(3) . 1_445 ?
Cu3 Te1 Cu3 70.34(3) 7 1_445 ?
Ag3 Te1 Cu3 70.34(3) 7 1_445 ?
Cu3 Te1 Cu3 180.00(6) 7_665 1_445 ?
Ag3 Te1 Cu3 0.00(6) 1_445 1_445 ?
Cu3 Te1 Ag3 109.66(3) 7_565 7_665 ?
Cu3 Te1 Ag3 70.34(3) 1_545 7_665 ?
Ag3 Te1 Ag3 109.66(3) 7_565 7_665 ?
Ag3 Te1 Ag3 70.34(3) 1_545 7_665 ?
Ag3 Te1 Ag3 70.34(3) . 7_665 ?
Cu3 Te1 Ag3 109.66(3) 7 7_665 ?
Ag3 Te1 Ag3 109.66(3) 7 7_665 ?
Cu3 Te1 Ag3 0.00(6) 7_665 7_665 ?
Ag3 Te1 Ag3 180.00(6) 1_445 7_665 ?
Cu3 Te1 Ag3 180.00(6) 1_445 7_665 ?
Cu3 Te2 Ag3 0.0 10_666 10_666 ?
Cu3 Te2 Cu1 71.12(4) 10_666 7_566 ?
Ag3 Te2 Cu1 71.12(4) 10_666 7_566 ?
Cu3 Te2 Ag1 71.12(4) 10_666 7_566 ?
Ag3 Te2 Ag1 71.12(4) 10_666 7_566 ?
Cu1 Te2 Ag1 0.00(6) 7_566 7_566 ?
Cu3 Te2 Ag1 71.12(4) 10_666 7_556 ?
Ag3 Te2 Ag1 71.12(4) 10_666 7_556 ?
Cu1 Te2 Ag1 110.05(4) 7_566 7_556 ?
Ag1 Te2 Ag1 110.05(4) 7_566 7_556 ?
Cu3 Te2 Cu1 71.12(4) 10_666 7_556 ?
Ag3 Te2 Cu1 71.12(4) 10_666 7_556 ?
Cu1 Te2 Cu1 110.05(4) 7_566 7_556 ?
Ag1 Te2 Cu1 110.05(4) 7_566 7_556 ?
Ag1 Te2 Cu1 0.0 7_556 7_556 ?
Cu3 Te2 Cu1 71.12(4) 10_666 7_666 ?
Ag3 Te2 Cu1 71.12(4) 10_666 7_666 ?
Cu1 Te2 Cu1 110.05(4) 7_566 7_666 ?
Ag1 Te2 Cu1 110.05(4) 7_566 7_666 ?
Ag1 Te2 Cu1 110.05(4) 7_556 7_666 ?
Cu1 Te2 Cu1 110.05(4) 7_556 7_666 ?
Cu3 Te2 Ag1 71.12(4) 10_666 7_666 ?
Ag3 Te2 Ag1 71.12(4) 10_666 7_666 ?
Cu1 Te2 Ag1 110.05(4) 7_566 7_666 ?
Ag1 Te2 Ag1 110.05(4) 7_566 7_666 ?
Ag1 Te2 Ag1 110.05(4) 7_556 7_666 ?
Cu1 Te2 Ag1 110.05(4) 7_556 7_666 ?
Cu1 Te2 Ag1 0.00(6) 7_666 7_666 ?
Cu3 Te2 Ag2 180.0 10_666 . ?
Ag3 Te2 Ag2 180.0 10_666 . ?
Cu1 Te2 Ag2 108.88(4) 7_566 . ?
Ag1 Te2 Ag2 108.88(4) 7_566 . ?
Ag1 Te2 Ag2 108.88(4) 7_556 . ?
Cu1 Te2 Ag2 108.88(4) 7_556 . ?
Cu1 Te2 Ag2 108.88(4) 7_666 . ?
Ag1 Te2 Ag2 108.88(4) 7_666 . ?
Cu3 Te2 Cu2 109.51(4) 10_666 4_566 ?
Ag3 Te2 Cu2 109.51(4) 10_666 4_566 ?
Cu1 Te2 Cu2 70.25(3) 7_566 4_566 ?
Ag1 Te2 Cu2 70.25(3) 7_566 4_566 ?
Ag1 Te2 Cu2 179.37(5) 7_556 4_566 ?
Cu1 Te2 Cu2 179.37(5) 7_556 4_566 ?
Cu1 Te2 Cu2 70.25(3) 7_666 4_566 ?
Ag1 Te2 Cu2 70.25(3) 7_666 4_566 ?
Ag2 Te2 Cu2 70.49(4) . 4_566 ?
Cu3 Te2 Ag2 109.51(4) 10_666 4_566 ?
Ag3 Te2 Ag2 109.51(4) 10_666 4_566 ?
Cu1 Te2 Ag2 70.25(3) 7_566 4_566 ?
Ag1 Te2 Ag2 70.25(3) 7_566 4_566 ?
Ag1 Te2 Ag2 179.37(5) 7_556 4_566 ?
Cu1 Te2 Ag2 179.37(5) 7_556 4_566 ?
Cu1 Te2 Ag2 70.25(3) 7_666 4_566 ?
Ag1 Te2 Ag2 70.25(3) 7_666 4_566 ?
Ag2 Te2 Ag2 70.49(4) . 4_566 ?
Cu2 Te2 Ag2 0.00(6) 4_566 4_566 ?
_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full 32.15
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max 0.376
_refine_diff_density_min -0.235
_refine_diff_density_rms 0.433