#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/78/9007893.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_9007893
loop_
_publ_author_name
'Weil, M.'
_publ_section_title
;
 Cadmium(II) metaarsenate(V), CdAs2O6
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i22
_journal_page_last               i23
_journal_paper_doi               10.1107/S1600536801003865
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     CdAs2O6
_chemical_formula_sum            'As2 Cd O6'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8269
_cell_length_b                   4.8269
_cell_length_c                   4.8660
_cell_formula_units_Z            1
_cell_volume                     98.184
_database_code_amcsd             0010351
_exptl_crystal_density_diffrn    6.059
_cod_original_formula_sum        'Cd As2 O6'
_cod_database_code               9007893
_amcsd_formula_title             CdAs2O6
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,-y,z
y,-x+y,-z
-y,-x,-z
-x+y,-x,z
-x,-x+y,z
-x,-y,-z
-x+y,y,-z
-y,x-y,z
y,x,z
x-y,x,-z
x,x-y,-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
Cd 0.00700 0.00700 0.00522 0.00350 0.00000 0.00000
As 0.00321 0.00321 0.00480 0.00161 0.00000 0.00000
O 0.00670 0.00420 0.00680 0.00210 0.00230 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cd 0.00000 0.00000 0.00000 0.00641
As 0.33333 0.66667 0.50000 0.00374
O 0.62430 0.00000 0.29130 0.00620
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010351
