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 1009009 ; _database_code_amcsd 0016871 _chemical_formula_sum 'Ga As O4' _cell_length_a 5.051 _cell_length_b 5.051 _cell_length_c 11.421 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 252.342 _exptl_crystal_density_diffrn 4.119 _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 0.45480 0.00000 0.33333 As1 0.45490 0.00000 0.83330 O1 0.40000 0.30900 0.38530 O2 0.40400 0.28900 0.87360 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 0.03200 0.03000 0.02600 0.00000 0.00000 -0.00230 As1 0.02870 0.02300 0.02330 0.00000 0.00000 -0.00030 O1 0.00690 0.04800 0.04000 0.04700 0.01200 0.01700 O2 0.05900 0.04600 0.04000 0.03500 -0.01400 -0.01400