#------------------------------------------------------------------------------
#$Date: 2018-07-18 16:09:29 +0300 (Wed, 18 Jul 2018) $
#$Revision: 209106 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/00/2100004.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_2100004
loop_
_publ_author_name
'Streltsov, Victor A.'
'Nakashima, Philip N. H.'
'Sobolev, Alexandre N.'
'Ozerov, Ruslan P.'
_publ_section_title
;
 Crystal structure study of a β'-copper vanadium bronze, CuₓV₂O₅
 (x= 0.63), by X-ray and convergent beam electron diffraction
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1107/s0108768104027739
_journal_volume                  61
_journal_year                    2005
_chemical_formula_sum            'Cu0.63 O5 V2'
_chemical_formula_weight         221.59
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.000(9)
_cell_angle_beta                 105.585(6)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            6
_cell_length_a                   15.1000(10)
_cell_length_b                   3.6382(2)
_cell_length_c                   10.0595(7)
_cell_measurement_temperature    9.6(5)
_cell_volume                     532.32(6)
_diffrn_ambient_temperature      9.6(5)
_exptl_crystal_density_diffrn    4.147
_cod_original_sg_symbol_Hall     -c_2y
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2100004
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,+y,-z
-x,-y,-z
+x,-y,+z
1/2+x,1/2+y,+z
1/2-x,1/2+y,-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,+z
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_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
CU1 .5412(3) .00000 .3446(3) .0052(3) Uani ? ? .429(14) ? ?
CU2 .5286(4) -.0379(19) .3575(4) .0104(5) Uani ? ? .254(7) ? ?
V1 .332203(10) .00000 .089222(15) .00281(4) Uani ? ? 1.00000 ? ?
V2 .113648(12) .00000 .121234(17) .00556(5) Uani ? ? 1.00000 ? ?
V3 .287002(10) .00000 .406261(15) .00321(4) Uani ? ? 1.00000 ? ?
O1 .00000 .00000 .00000 .0065(3) Uani ? ? 1.00000 ? ?
O2 .18862(5) .00000 -.04394(7) .00472(19) Uani ? ? 1.00000 ? ?
O3 .36765(5) .00000 -.08718(7) .00475(19) Uani ? ? 1.00000 ? ?
O4 .43233(5) .00000 .20060(7) .0062(2) Uani ? ? 1.00000 ? ?
O5 .26029(5) .00000 .22253(7) .0049(2) Uani ? ? 1.00000 ? ?
O6 .09558(5) .00000 .27665(7) .0058(2) Uani ? ? 1.00000 ? ?
O7 .24449(5) .00000 .57618(7) .0051(2) Uani ? ? 1.00000 ? ?
O8 .39945(5) .00000 .45988(7) .0065(2) Uani ? ? 1.00000 ? ?
