#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/16/8101615.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_8101615
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year       1999
_publ_section_title
;
 Crystal structure of Praseodum Gallium Oxide Pr4Ga2O9
;
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_[local]_cod_cif_authors_sg_H-M  'P -4 21 m'
loop_
_publ_author_name
  'Gesing, Thorsten M.'
  'Uecker, Reinhard'
  'Buhl, J.-Christian'
_chemical_name_common  'SrPrGa3O7'
_chemical_formula_moiety  'SrPrGa3O7'
_chemical_formula_structural  'Sr Pr Ga3 O7'
_chemical_formula_sum            'Ga6 O14 Pr2 Sr2'
_[local]_cod_chemical_formula_sum_orig 'Sr2 Pr2 Ga6 O14'
_chemical_formula_weight  549.69
_symmetry_cell_setting  tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,-y,1/2+z'
  '-x,y,1/2+z'
  '-y,x,z'
  'y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2+z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,y,1/2-z'
  'x,-y,1/2-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,1/2-z'
  'y,x,1/2-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
_cell_length_a  8.01978(19)
_cell_length_b  8.01978(19)
_cell_length_c  5.29905(14)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  340.82(1)
_cell_formula_units_Z  2
_cell_measurement_temperature  295(2)
_diffrn_ambient_temperature  295(2)
_pd_calc_method  "Rietveld Refinement"
_pd_proc_ls_prof_R_factor  0.0261
_pd_proc_ls_prof_wR_factor  0.0395
_pd_proc_ls_prof_wR_expected  0.0162
_pd_proc_ls_prof_R_factor_on_I  0.0248
_pd_proc_ls_prof_R_factor_on_F  0.0126
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
SR(1) 0.16205(93)  0.66205  0.50926(346)  0.5 Uiso 0.006  4 e
PR(1) 0.16205(93)  0.66205  0.50926(346)  0.5 Uiso 0.006  4 e
GA(1) 0.64368(118) 0.14368  0.97516(477)  1.0 Uiso 0.006  4 e
GA(2) 0.0  0.0  0.0  1.0 Uiso 0.009  2 a
O(1)  0.08442(470) 0.15987(636) 0.21242(680)  1.0 Uiso 0.012  8 f
O(2)  0.63374(735) 0.13374  0.35603(817)  1.0 Uiso 0.012  4 e
O(3)  0.0  0.5  0.19315(737)  1.0 Uiso 0.012  2 c
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sr1 O2 2.45(4) y
Sr1 O3 2.49(3) y
Sr1 O2 2.49(2) y
Sr1 O2 2.49(6) y
Sr1 O1 2.51(4) y
Sr1 O1 2.51(4) y
Ga1 O3 1.86(2) y
Ga1 O1 1.92(5) y
Ga1 O1 1.92(5) y
Ga1 O2 2.02(5) y
Ga2 O1 1.84(4) y
Ga2 O1 1.84(4) y
Ga2 O1 1.84(4) y
Ga2 O1 1.84(4) y
_cod_database_code 8101615