Structural characterization of a new high-pressure phase of GaAsO~4~
Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel; Acta Crystallographica Section B 62 (2006) 1019–1024; doi:10.1107/S0108768106039760

data_2100674
_publ_section_title
;
 Structural characterization of a new high-pressure phase of GaAsO~4~
;
_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         'Ga As O4'
_chemical_formula_sum            'As Ga O4'
_chemical_formula_weight         208.64
_chemical_name_common            'Gallium Arseniate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           143
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            4.5
_cell_length_a                   8.2033195(4)
_cell_length_b                   8.2033195(4)
_cell_length_c                   4.3941092(10)
_cell_measurement_temperature    273
_cell_volume                     256.08299(6)
_computing_data_collection       'Bruker AXS software'
_computing_molecular_graphics    Diamond
_computing_publication_material  FULLPROF
_computing_structure_refinement  FULLPROF
_computing_structure_solution    Endeavour
_diffrn_ambient_temperature      298
_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    33.6
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    6.087
_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         724
_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_GaAsO4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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 'Hexagonal' changed to 'hexagonal'
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        256.083(5)
_cod_original_formula_sum        'Ga As O4'
_cod_database_code               2100674