data_global
_amcsd_formula_title 'As Ga O4'
loop_
_publ_author_name
'Philippot E'
'Armand P'
'Yot P'
'Cambon O'
'Goiffon A'
'McIntyre G'
'Bordet P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 146 
_journal_year 1999
_journal_page_first 114
_journal_page_last 123
_publ_section_title
;
 Neutron and x-ray structure refinements between 15 and 1083 K of
 piezoelectric gallium arsenate, Ga As O4: temperature and pressure
 behavior compared with other alpha-quartz materials
 _cod_database_code 1009001
;
_database_code_amcsd 0016863
_chemical_formula_sum 'Ga As O4'
_cell_length_a 4.9942
_cell_length_b 4.9942
_cell_length_c 11.3816
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 245.848
_exptl_crystal_density_diffrn      4.228
_symmetry_space_group_name_H-M 'P 31 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,1/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,2/3+z'
  'x-y,-y,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ga1   0.45092   0.00000   0.33333
As1   0.44933   0.00000   0.83330
O1   0.39910   0.31683   0.38363
O2   0.39816   0.29426   0.87213
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
Ga1 0.00865 0.00740 0.00711 0.00000 0.00000 -0.00068
As1 0.00807 0.00641 0.00656 0.00000 0.00000 -0.00048
O1 0.01784 0.01311 0.01145 0.01064 -0.00459 -0.00442
O2 0.01810 0.01255 0.01202 0.01073 -0.00471 -0.00424