#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/69/2006974.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2006974
loop_
_publ_author_name
'Sophie Boudin'
'Kwang-Hwa Lii'
_publ_section_title
;
Ga₃PO₇
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              05
_journal_page_last               07
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'Ga3 O7 P'
_chemical_formula_weight         352.13
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   7.8850(10)
_cell_length_b                   7.8850(10)
_cell_length_c                   6.7270(10)
_cell_measurement_temperature    293(2)
_cell_volume                     362.21(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.843
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Ga3 P O7'
_cod_database_code               2006974
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ga .79674(3) .20326(3) .7448(3) .00394(15) Uani d S 1 . Ga
P .0000 .0000 .0000 .0041(3) Uani d S 1 . P
O1 .0000 .0000 .2340(10) .0047(9) Uani d S 1 . O
O2 .5405(3) .4595(3) .8493(6) .0055(6) Uani d S 1 . O
O3 .5603(3) .4397(3) .2729(6) .0117(6) Uani d S 1 . O
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ga O3 13_545 1.863(4) yes
Ga O2 13_544 1.865(4) yes
Ga O2 3_665 1.886(2) yes
Ga O2 2_655 1.886(2) yes
Ga O1 7 2.140(3) yes
P O3 13_444 1.508(4) yes
P O3 14_544 1.508(4) yes
P O3 15_554 1.508(4) yes
P O1 . 1.574(6) yes
O1 Ga 14_544 2.140(3) ?
O1 Ga 15_554 2.140(3) ?
O1 Ga 13_444 2.140(3) ?
O2 Ga 7_455 1.865(4) ?
O2 Ga 3_665 1.886(2) ?
O2 Ga 2_655 1.886(2) ?
O3 P 7 1.508(4) ?
O3 Ga 7_454 1.863(4) ?
