#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/10/9001053.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_9001053
loop_
_publ_author_name
'Robinson, P. D.'
'Hughes, J. M.'
'Malinconico, M. L.'
_publ_section_title
;Blossite, alpha-Cu2V2O7, a new fumarolic sublimate from Izalco volcano, El
 Salvador - data obtained by personal communication, May 2003.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              397
_journal_page_last               400
_journal_volume                  72
_journal_year                    1987
_chemical_formula_sum            'Cu2 O7 V2'
_chemical_name_mineral           Blossite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.676
_cell_length_b                   8.392
_cell_length_c                   6.446
_cell_formula_units_Z            8
_cell_volume                     1118.465
_database_code_amcsd             0001075
_exptl_crystal_density_diffrn    4.050
_cod_original_formula_sum        'Cu2 V2 O7'
_cod_database_code               9001053
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
1/4+x,1/4-y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
1/4-x,1/4+y,1/4+z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
-x,1/2-y,1/2+z
-x,-y,+z
1/2-x,1/2-y,+z
1/2-x,-y,1/2+z
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
Cu 0.01668 0.03033 0.00463 -0.01450 0.00284 -0.00274
V 0.00541 0.01320 0.00421 0.00088 -0.00101 0.00137
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.16590 0.36390 0.75000 ?
V 0.19880 0.40520 0.23280 ?
O1 0.16160 0.34830 0.45320 0.01773
O2 0.24540 0.56160 0.26760 0.02406
O3 0.14400 0.43580 0.02830 0.01267
O4 0.25000 0.25000 0.15430 0.03673
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001075
