#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011900.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_2011900
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  333
_journal_page_last  334
_publ_section_title
;
RbCu~2~VS~4~
;
loop_
_publ_author_name
  'Tillinski, Ralf'
  'N\"ather, Christian'
  'Bensch, Wolfgang'
_chemical_name_common  Rubidiumdicoppervanadiumtetrasulfide
_chemical_formula_moiety  'Rb Cu2 V S4'
_chemical_formula_sum  'Cu2 Rb S4 V'
_chemical_formula_weight  391.73
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'A m a 2'
_symmetry_space_group_name_Hall  'A 2 -2a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  'x+1/2, -y, z'
  '-x+1/2, y, z'
  'x, y+1/2, z+1/2'
  '-x, -y+1/2, z+1/2'
  'x+1/2, -y+1/2, z+1/2'
  '-x+1/2, y+1/2, z+1/2'
_cell_length_a  7.382(3)
_cell_length_b  18.187(11)
_cell_length_c  5.413(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  726.7(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.580
_diffrn_ambient_temperature  293(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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  V  .2500  .10888(13)  .6036(7)  .0143(6) Uani d S 1 . V
  Cu1  .0000  .0000  .6253(4)  .0214(5) Uani d S 1 . Cu
  Cu2  .2500  .10573(10)  .1029(4)  .0204(6) Uani d S 1 . Cu
  S1  .2500  .2040(2)  .3668(17)  .0248(9) Uani d S 1 . S
  S2  .0076(3)  .10917(14)  .8357(7)  .0194(5) Uani d . 1 . S
  S3  .2500  .0076(2)  .3709(8)  .0157(7) Uani d S 1 . S
  Rb  .7500  .18224(8)  .3550(6)  .0294(4) Uani d S 1 . Rb
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  V  .0132(12)  .0164(12)  .013(2)  .000  .000  .000(2)
  Cu1  .0150(7)  .0242(9)  .0249(10)  -.0039(8)  .000  .000
  Cu2  .0224(10)  .0252(11)  .0136(12)  .000  .000  .0029(14)
  S1  .041(2)  .016(2)  .017(2)  .000  .000  .004(3)
  S2  .0152(10)  .0265(11)  .0164(13)  .0031(9)  -.001(3)  -.0014(13)
  S3  .0162(14)  .0157(15)  .015(2)  .000  .000  -.001(3)
  Rb  .0336(8)  .0271(7)  .0274(8)  .000  .000  .0048(13)
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
  V S1 . 2.153(7) Y
  V S2 4 2.186(4) N
  V S2 . 2.186(4) Y
  V S3 . 2.232(5) Y
  V Cu2 1_556 2.703(4) Y
  V Cu1 . 2.709(2) Y
  V Cu1 3 2.709(2) N
  V Cu2 . 2.711(4) Y
  V Rb 6_655 4.035(4) N
  V Rb 1_455 4.149(2) N
  V Rb . 4.149(2) N
  Cu1 S2 . 2.290(3) Y
  Cu1 S2 2 2.290(3) N
  Cu1 S3 2 2.307(3) N
  Cu1 S3 . 2.307(3) Y
  Cu1 V 2 2.709(2) N
  Cu1 Rb 2_655 4.066(2) N
  Cu1 Rb 1_455 4.066(2) N
  Cu2 S1 . 2.288(6) Y
  Cu2 S3 . 2.300(4) Y
  Cu2 S2 1_554 2.302(3) Y
  Cu2 S2 4_554 2.302(3) N
  Cu2 V 1_554 2.703(4) N
  Cu2 Rb 6_654 4.083(4) N
  Cu2 Rb . 4.174(2) N
  Cu2 Rb 1_455 4.174(2) N
  S1 Rb 6_655 3.356(9) N
  S1 Rb 6_654 3.458(10) N
  S1 Rb 1_455 3.713(2) N
  S1 Rb . 3.713(2) N
  S2 Cu2 1_556 2.302(3) N
  S2 Rb 1_455 3.486(4) N
  S2 Rb 1_456 3.645(4) N
  S3 Cu1 3 2.307(3) N
  S3 Rb 2_655 3.453(4) N
  Rb S1 6_654 3.356(9) Y
  Rb S3 2_655 3.453(4) Y
  Rb S1 6_655 3.458(10) Y
  Rb S2 1_655 3.486(4) Y
  Rb S2 4 3.486(4) N
  Rb S2 4_554 3.645(4) Y
  Rb S2 1_654 3.645(4) N
  Rb S1 1_655 3.713(2) Y
  Rb V 6_654 4.035(4) N
  Rb Cu1 3 4.066(2) N
  Rb Cu1 1_655 4.066(2) N