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 1009003
;
_database_code_amcsd 0016865
_chemical_formula_sum 'Ga As O4'
_cell_length_a 5.007
_cell_length_b 5.007
_cell_length_c 11.391
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 247.313
_exptl_crystal_density_diffrn      4.203
_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   0.45230   0.00000   0.33333
As1   0.44960   0.00000   0.83330
O1   0.40000   0.31500   0.38380
O2   0.40000   0.29300   0.87200
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 0.01000 0.01100 0.00990 0.00000 0.00000 -0.00190
As1 0.01230 0.00830 0.00790 0.00000 0.00000 0.00070
O1 0.01900 0.01800 0.01600 0.01600 0.00400 0.00400
O2 0.03000 0.02500 0.01500 0.01900 -0.00800 -0.00800