#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/49/9004905.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004905
loop_
_publ_author_name
'Krivovichev, S. V.'
'Filatov, S. K.'
'Cherepansky, P. N.'
'Armbruster, T.'
'Pankratova, O. Y.'
_publ_section_title
;
 The crystal structure of gamma-Cu2V2O7 and its comparison to blossite
 (alpha-Cu2V2O7) and ziesite (beta-Cu2V2O7)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.2113/gscanmin.43.2.671
_journal_volume                  43
_journal_year                    2005
_chemical_formula_sum            'Cu2 O7 V2'
_chemical_name_mineral           Cu2V2O7
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.780
_cell_angle_beta                 97.253
_cell_angle_gamma                97.202
_cell_length_a                   5.0873
_cell_length_b                   5.8233
_cell_length_c                   9.4020
_cell_formula_units_Z            2
_cell_volume                     269.201
_database_code_amcsd             0006001
_exptl_crystal_density_diffrn    4.206
_cod_original_formula_sum        'Cu2 V2 O7'
_cod_database_code               9004905
_amcsd_formula_title             Cu2V2O7
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.26344 0.15492 0.51698 0.01280
Cu2 0.28090 0.14584 0.00655 0.01260
V1 0.16373 -0.32508 0.21877 0.00950
V2 0.28516 -0.26957 0.69728 0.00910
O1 0.08850 -0.10780 0.60230 0.01180
O2 0.41450 -0.17740 0.34980 0.01410
O3 0.04860 -0.12930 0.11950 0.01330
O4 0.38460 -0.12480 0.87740 0.01230
O5 0.10510 -0.55500 0.68910 0.01450
O6 0.54980 -0.31360 0.61760 0.01230
O7 0.26370 -0.54290 0.10960 0.01950
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006001
