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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/10/8101060.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_8101060
loop_
_publ_author_name
'Korber, Nikolaus'
'Richter, Frank'
_publ_section_title
;
Crystal structure of dilithium ditelluride---ammonia (1/8), 
[Li(NH₃)₄]₂Te₂
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_page_last               334
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         '2(H12 N4 Li +), (Te2 2-)'
_chemical_formula_structural     '[Li(N H3)4]2 Te2'
_chemical_formula_sum            'H24 Li2 N8 Te2'
_chemical_formula_weight         405.35
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.87(2)
_cell_angle_beta                 113.54(2)
_cell_angle_gamma                92.18(2)
_cell_formula_units_Z            1
_cell_length_a                   6.7628(13)
_cell_length_b                   7.2717(13)
_cell_length_c                   8.4714(16)
_cell_measurement_temperature    123(2)
_cell_volume                     372.10(12)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.809
_cod_database_code               8101060
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Te1 Te 0.48042(3) 0.54554(2) 0.84331(2) 0.01324(10) Uani 1 2 d . . .
N1 N 0.8736(5) 0.3313(4) 0.6156(4) 0.0189(6) Uani 1 2 d . . .
H1A H 0.7676 0.4035 0.6508 0.028 Uiso 1 2 calc R . .
H1B H 0.8143 0.2936 0.4826 0.028 Uiso 1 2 calc R . .
H1C H 1.0176 0.4136 0.6634 0.028 Uiso 1 2 calc R . .
N2 N 1.2271(5) 0.0221(4) 0.7609(4) 0.0203(6) Uani 1 2 d . . .
H2A H 1.3388 0.1246 0.8561 0.030 Uiso 1 2 calc R . .
H2B H 1.2479 0.0104 0.6479 0.030 Uiso 1 2 calc R . .
H2C H 1.2452 -0.1018 0.7992 0.030 Uiso 1 2 calc R . .
N3 N 0.9220(5) 0.2065(4) 0.9598(4) 0.0216(7) Uani 1 2 d . . .
H3A H 0.8992 0.1025 1.0170 0.032 Uiso 1 2 calc R . .
H3B H 0.8021 0.2894 0.9441 0.032 Uiso 1 2 calc R . .
H3C H 1.0671 0.2848 1.0374 0.032 Uiso 1 2 calc R . .
N4 N 0.6913(6) -0.1530(5) 0.5967(4) 0.0317(8) Uani 1 2 d . . .
H4A H 0.6901 -0.2221 0.6892 0.047 Uiso 1 2 calc R . .
H4B H 0.7329 -0.2377 0.5089 0.047 Uiso 1 2 calc R . .
H4C H 0.5419 -0.1165 0.5334 0.047 Uiso 1 2 calc R . .
Li1 Li 0.9175(9) 0.0906(8) 0.7184(7) 0.0206(12) Uani 1 2 d . . .
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
Te1 Te1 2.7698(6) 2_667 ?
N1 Li1 2.078(7) . ?
N2 Li1 2.075(7) . ?
N3 Li1 2.047(6) . ?
N4 Li1 2.094(6) . ?
