#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006974.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
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  05
_journal_page_last  07
_publ_section_title
;
Ga~3~PO~7~
;
loop_
_publ_author_name
  'Sophie Boudin'
  'Kwang-Hwa Lii'
_chemical_formula_sum  'Ga3 P O7'
_chemical_formula_weight  352.13
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'R 3 m'
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'
_cell_length_a  7.8850(10)
_cell_length_b  7.8850(10)
_cell_length_c  6.7270(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  120.00
_cell_volume  362.21(8)
_cell_formula_units_Z  3
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.843
_diffrn_ambient_temperature  293(2)
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_
_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
  Ga  .0047(2)  .0047(2)  .0026(2)  .0025(2)  .00013(7)  -.00013(7)
  P  .0053(4)  .0053(4)  .0017(7)  .0026(2)  .000  .000
  O1  .0066(14)  .0066(14)  .001(2)  .0033(7)  .000  .000
  O2  .0057(10)  .0057(10)  .0041(13)  .0021(10)  .0011(5)  -.0011(5)
  O3  .0145(12)  .0145(12)  .0095(15)  .0097(14)  -.0027(6)  .0027(6)
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) ?