#------------------------------------------------------------------------------
#$Date: 2012-02-28 13:14:52 +0100 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/16/8101617.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_8101617
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year       1999
_publ_section_title
;
 Crystal structure of Praseodum Gallium Oxide Pr4Ga2O9
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Gesing, Thorsten M.'
  'Uecker, Reinhard'
  'Buhl, J.-Christian'
_chemical_name_common  'Pr4Ga2O9'
_chemical_formula_moiety  'Pr4Ga2O9'
_chemical_formula_structural  'Pr4 Ga2 O9'
_chemical_formula_sum            'Ga8 O36 Pr16'
_[local]_cod_chemical_formula_sum_orig 'Pr16 Ga8 O36'
_chemical_formula_weight  847.08
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y+1/2, z+1/2'
_cell_length_a  7.82559(42)
_cell_length_b  11.03223(53)
_cell_length_c  11.49591(65)
_cell_angle_alpha  90.00
_cell_angle_beta  109.1872(33)
_cell_angle_gamma  90.00
_cell_volume  937.35(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  295(2)
_diffrn_ambient_temperature  295(2)
_pd_calc_method  "Rietveld Refinement"
_pd_proc_ls_prof_R_factor  0.0260
_pd_proc_ls_prof_wR_factor  0.0345
_pd_proc_ls_prof_wR_expected  0.0232
_pd_proc_ls_prof_R_factor_on_I  0.0333
_pd_proc_ls_prof_R_factor_on_F  0.0150
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
PR(1) 0.51953(213) 0.10000(166) 0.78154(111)  1.0 Uiso 0.006  4 e
PR(2) 0.02713(222) 0.09121(150) 0.80561(127)  1.0 Uiso 0.006  4 e
PR(3) 0.33242(265) 0.12226(186) 0.42402(168)  1.0 Uiso 0.006  4 e
PR(4) 0.83441(290) 0.12142(184) 0.41898(167)  1.0 Uiso 0.006  4 e
GA(1) 0.21517(454) 0.18975(320) 0.13652(314)  1.0 Uiso 0.009  4 e
GA(2) 0.66036(415) 0.18426(284) 0.11732(275)  1.0 Uiso 0.009  4 e
O(1)  0.76090(871) 0.14617(515) 0.80393(531)  1.0 Uiso 0.012  4 e
O(2)  0.20228(665) 0.23632(420) 0.79659(430)  1.0 Uiso 0.012  4 e
O(3)  0.17626(948) 0.01831(667) 0.18971(667)  1.0 Uiso 0.012  4 e
O(4)  0.02996(917) 0.21937(698) 0.93973(719)  1.0 Uiso 0.012  4 e
O(5)  0.40439(777) 0.22636(380) 0.08271(458)  1.0 Uiso 0.012  4 e
O(6)  0.63625(992) 0.22447(790) 0.95042(830)  1.0 Uiso 0.012  4 e
O(7)  0.73650(667) 0.00880(484) 0.17255(422)  1.0 Uiso 0.012  4 e
O(8)  0.02770(956) 0.01956(521) 0.37433(532)  1.0 Uiso 0.012  4 e
O(9)  0.61255(921) 0.99080(555) 0.38990(598)  1.0 Uiso 0.012  4 e
_cod_database_code 8101617