#------------------------------------------------------------------------------
#$Date: 2017-10-13 08:28:26 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/06/2100675.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2100675
loop_
_publ_author_name
'Santamaría-Pérez, David'
'Haines, Julien'
'Amador, Ulises'
'Morán, Emilio'
'Vegas, Angel'
_publ_section_title
;
 Structural characterization of a new high-pressure phase of GaAsO₄
;
_journal_coeditor_code           AV5074
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1019
_journal_page_last               1024
_journal_paper_doi               10.1107/S0108768106039760
_journal_volume                  62
_journal_year                    2006
_chemical_formula_moiety         'As2 O3'
_chemical_formula_sum            'As2 O3'
_chemical_formula_weight         197.84
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            16
_cell_length_a                   11.0771(5)
_cell_length_b                   11.0771(5)
_cell_length_c                   11.0771(5)
_cell_measurement_temperature    273
_cell_volume                     1359.18(11)
_computing_structure_refinement  FULLPROF
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_measurement_method       Bragg-Brentano
_diffrn_radiation_monochromator  Ge
_diffrn_radiation_type           'Cu K\a'
_exptl_absorpt_coefficient_mu    21.3
_exptl_crystal_density_diffrn    3.867
_exptl_crystal_size_max          30
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_ls_number_parameters     48
_refine_ls_number_reflns         182
_refine_ls_number_restraints     0
_refine_ls_structure_factor_coef 'raw data'
_refine_ls_weighting_details     'w = 1/sigma'
_refine_ls_weighting_scheme      calc
_cod_data_source_file            av5074.cif
_cod_data_source_block           Fase_As2O3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/sigma' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/sigma'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1359.20(10)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        As2O3
_cod_database_code               2100675
loop_
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loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
AS AS1 0.77154 0.77154 0.77154 0.057(3) Uiso 1.00000
O O1 0.95105 0.12500 0.12500 0.042(11) Uiso 0.99998
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 452454
