#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/08/8100809.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_8100809
loop_
_publ_author_name
'Klepp, O. Kurt'
'Sing, Martin'
_publ_section_title
;
Crystal structure of rubidium dithiotricuprate, RbCu₃S₂
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              474
_journal_page_last               474
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     RbCu3S2
_chemical_formula_sum            'Cu3 Rb S2'
_chemical_formula_weight         340.22
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.23(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.813(8)
_cell_length_b                   3.941(2)
_cell_length_c                   8.364(5)
_cell_measurement_temperature    294
_cell_volume                     452.0(8)
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.00
_refine_ls_R_factor_obs          0.035
_refine_ls_wR_factor_obs         0.033
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Cu3 Rb1 S2'
_cod_database_code               8100809
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
Rb 0.1354(1) 0.0000 0.0426(2) 0.0192(3) Uani ?
Cu1 0.5942(1) 0.0000 0.6377(2) 0.0231(5) Uani ?
Cu2 0.6890(1) 0.0000 0.4295(2) 0.0319(6) Uani ?
Cu3 0.0609(1) 0.0000 0.4032(2) 0.0227(5) Uani ?
S1 0.4770(2) 0.0000 0.7515(4) 0.0139(9) Uani ?
S2 0.1921(2) 0.0000 0.6753(4) 0.0173(9) Uani ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rb Cu3 3.582(3) ?
Rb Cu3 3.582(3) ?
Rb S1 3.316(3) ?
Rb S1 3.316(3) ?
Rb S1 3.434(4) ?
Rb S1 3.434(4) ?
Rb S1 3.434(4) ?
Rb S1 3.434(4) ?
Rb S1 3.316(3) ?
Rb S1 3.316(3) ?
Rb S2 3.478(5) ?
Rb S2 3.379(3) ?
Rb S2 3.379(3) ?
Rb S2 3.478(5) ?
Rb S2 3.379(3) ?
Rb S2 3.379(3) ?
Cu1 Cu1 2.868(4) ?
Cu1 Cu1 2.868(4) ?
Cu1 Cu2 2.618(3) ?
Cu1 Cu2 2.618(3) ?
Cu1 Cu3 2.691(2) ?
Cu1 Cu3 2.691(2) ?
Cu1 Cu3 2.946(2) ?
Cu1 Cu3 2.946(2) ?
Cu1 Cu3 2.946(2) ?
Cu1 Cu3 2.946(2) ?
Cu1 Cu3 2.691(2) ?
Cu1 Cu3 2.691(2) ?
Cu1 S1 2.272(4) ?
Cu1 S1 3.018(4) ?
Cu1 S1 3.018(4) ?
Cu1 S1 2.272(4) ?
Cu1 S2 2.396(2) ?
Cu1 S2 2.396(2) ?
Cu1 S2 2.396(2) ?
Cu1 S2 2.396(2) ?
Cu2 Cu2 2.632(3) ?
Cu2 Cu2 2.632(3) ?
Cu2 Cu2 2.632(3) ?
Cu2 Cu2 2.632(3) ?
Cu2 Cu3 3.430(3) ?
Cu2 Cu3 2.686(2) ?
Cu2 Cu3 2.686(2) ?
Cu2 Cu3 3.430(3) ?
Cu2 Cu3 2.686(2) ?
Cu2 Cu3 2.686(2) ?
Cu2 S1 2.350(4) ?
Cu2 S1 2.350(4) ?
Cu2 S2 2.246(4) ?
Cu2 S2 2.835(3) ?
Cu2 S2 2.835(3) ?
Cu2 S2 2.246(4) ?
Cu2 S2 2.835(3) ?
Cu2 S2 2.835(3) ?
Cu3 Cu3 2.844(4) ?
Cu3 Cu3 2.844(4) ?
Cu3 S1 2.307(2) ?
Cu3 S1 2.307(2) ?
Cu3 S1 2.307(2) ?
Cu3 S1 2.307(2) ?
Cu3 S2 2.368(4) ?
Cu3 S2 3.552(4) ?
Cu3 S2 3.552(4) ?
Cu3 S2 2.368(4) ?
