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#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/15/2201516.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_2201516
loop_
_publ_author_name
'Hatscher, Stephan T.'
'Urland, Werner'
_publ_section_title
;
Dysprosium thiosilicate, Dy₄(SiS₄)₃
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i74
_journal_page_last               i75
_journal_paper_doi               10.1107/S1600536802014137
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Dy4 (Si S4)3'
_chemical_formula_moiety         'Dy4 S12 Si3'
_chemical_formula_structural     'Dy4 (Si S4)3'
_chemical_formula_sum            'Dy4 S12 Si3'
_chemical_formula_weight         1118.99
_chemical_name_common            'dysprosium thiosilicate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.813(2)
_cell_length_b                   10.9387(18)
_cell_length_c                   16.360(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1712.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.341
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2201516
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Dy1 0.61037(2) 0.98387(3) 0.124986(17) 0.01090(7) Uani d . 1 . . Dy
Dy2 0.87638(2) 0.65205(3) 0.059681(16) 0.01025(7) Uani d . 1 . . Dy
Dy3 0.53109(2) 0.37677(3) 0.131055(17) 0.01181(7) Uani d . 1 . . Dy
Dy4 0.32137(2) 0.76108(3) 0.288987(17) 0.01307(7) Uani d . 1 . . Dy
S1 0.50347(11) 0.77960(14) 0.18937(9) 0.0130(3) Uani d . 1 . . S
S2 0.41939(11) 0.15310(14) 0.18410(8) 0.0113(3) Uani d . 1 . . S
S3 0.74682(11) 0.21352(14) 0.13550(9) 0.0115(3) Uani d . 1 . . S
S4 0.84701(11) 0.83727(13) 0.18728(8) 0.0099(3) Uani d . 1 . . S
S5 0.61230(11) 0.75951(13) 0.01329(9) 0.0110(3) Uani d . 1 . . S
S6 0.91010(11) 0.84639(14) 0.94613(9) 0.0137(3) Uani d . 1 . . S
S7 0.04205(11) 0.43674(14) 0.09416(9) 0.0123(3) Uani d . 1 . . S
S8 0.34970(11) 0.48068(14) 0.22872(9) 0.0141(3) Uani d . 1 . . S
S9 0.66502(11) 0.47329(14) 0.97688(9) 0.0130(3) Uani d . 1 . . S
S10 0.15065(11) 0.73252(13) 0.12650(9) 0.0115(3) Uani d . 1 . . S
S11 0.65770(11) 0.05886(14) 0.97265(9) 0.0121(3) Uani d . 1 . . S
S12 0.75600(11) 0.54329(13) 0.18751(9) 0.0115(3) Uani d . 1 . . S
Si1 0.22185(12) 0.55471(15) 0.11744(10) 0.0103(3) Uani d . 1 . . Si
Si2 0.70047(12) 0.88347(15) 0.93948(10) 0.0103(3) Uani d . 1 . . Si
Si3 0.70889(12) 0.71649(15) 0.23333(10) 0.0096(3) Uani d . 1 . . Si
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 S11 1_564 2.7597(15) yes
Dy1 S1 . 2.7740(15) yes
Dy1 S11 3_666 2.7962(14) yes
Dy1 S4 . 2.8194(13) yes
Dy1 S3 1_565 2.8338(15) yes
Dy1 S2 1_565 2.9464(14) yes
Dy1 S5 . 3.0625(15) yes
Dy1 S12 2_655 3.1243(16) yes
Dy2 S5 . 2.7924(13) yes
Dy2 S10 1_655 2.8114(13) yes
Dy2 S7 1_655 2.8460(15) yes
Dy2 S12 . 2.8783(15) yes
Dy2 S6 1_554 2.8903(16) yes
Dy2 S9 1_554 2.9512(15) yes
Dy2 S4 . 2.9688(15) yes
Dy2 S7 3_665 2.9691(16) yes
Dy3 S3 . 2.7580(14) yes
Dy3 S9 3_666 2.8281(15) yes
Dy3 S12 . 2.8520(13) yes
Dy3 S8 . 2.8774(15) yes
Dy3 S5 3_665 2.8809(15) yes
Dy3 S2 . 2.8921(15) yes
Dy3 S4 2_645 2.9780(16) yes
Dy3 S9 1_554 3.2680(15) yes
Dy4 S1 . 2.6809(14) yes
Dy4 S2 2 2.7629(13) yes
Dy4 S6 4_575 2.7844(16) yes
Dy4 S10 . 2.8263(16) yes
Dy4 S7 2 2.8289(15) yes
Dy4 S8 2 2.9079(16) yes
Dy4 S8 . 3.2526(17) yes
Si1 S7 . 2.1504(19) yes
Si1 S8 . 2.128(2) yes
Si1 S9 3_666 2.114(2) yes
Si1 S10 . 2.083(2) yes
Si2 S2 3_666 2.138(2) yes
Si2 S5 1_556 2.124(2) yes
Si2 S6 . 2.0757(17) yes
Si2 S11 1_565 2.062(2) yes
Si3 S1 . 2.1003(17) yes
Si3 S3 2_655 2.093(2) yes
Si3 S4 . 2.1458(19) yes
Si3 S12 . 2.126(2) yes
