#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/98/9009803.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_9009803
loop_
_publ_author_name
'Jansen, M.'
_publ_section_title
;
 On a new modification of As2O5
 Note: Sample at T = 310 C
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              10
_journal_page_last               13
_journal_volume                  34
_journal_year                    1979
_chemical_formula_structural     As2O5
_chemical_formula_sum            'As2 O5'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.572
_cell_length_b                   8.572
_cell_length_c                   4.636
_cell_formula_units_Z            4
_cell_volume                     340.649
_database_code_amcsd             0015834
_diffrn_ambient_temperature      583.15
_exptl_crystal_density_diffrn    4.482
_cod_original_cell_volume        340.650
_cod_database_code               9009803
_amcsd_formula_title             As2O5
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,1/4+z
1/2-x,1/2+y,1/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,3/4+z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.40200 0.40200 0.00000
As2 0.78310 0.78310 0.00000
O1 0.05340 0.05340 0.00000
O2 0.23990 0.34430 0.23230
O3 0.24650 0.02500 0.41440
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015834
