#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/23/9012343.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_9012343
loop_
_publ_author_name
'Jansen, M.'
'Begemann, B.'
'Geb, J.'
_publ_section_title
;
 Mischkristallbildung in den systemen As2O5/SbAsO5 und As2O5/AsPO5 bestimmung
 der spontanen deformationen und verfeinerung der kristallstrukturen der
 ternaren randphasen
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              139
_journal_page_last               144
_journal_paper_doi               10.1002/zaac.19926100123
_journal_volume                  610
_journal_year                    1992
_chemical_formula_structural     SbAsO5
_chemical_formula_sum            'As O5 Sb'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.1607
_cell_length_b                   8.7524
_cell_length_c                   4.9035
_cell_formula_units_Z            4
_cell_volume                     393.153
_database_code_amcsd             0015796
_exptl_crystal_density_diffrn    4.674
_cod_original_formula_sum        'Sb As O5'
_cod_database_code               9012343
_amcsd_formula_title             SbAsO5
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb 0.14660 0.40240 0.13100 0.00600
As 0.53750 0.77800 0.14300 0.01300
O1 0.26600 0.42700 0.84000 0.01000
O2 0.50000 0.14100 0.55500 0.02000
O3 0.55400 0.26800 0.06200 0.02000
O4 0.50000 0.45100 0.47100 0.02000
O5 0.28400 0.24900 0.29800 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015796
