#------------------------------------------------------------------------------
#$Date: 2016-02-16 17:55:33 +0100 (mar 16 de feb de 2016) $
#$Revision: 176466 $
#$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
loop_
_publ_author_name
'Gesing, Thorsten M.'
'Uecker, Reinhard'
'Buhl, J.-C.'
_publ_section_title
;
Crystal structure of praseodym gallate, Pr₄Ga₂O₉
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              431
_journal_page_last               431
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         Pr4Ga2O9
_chemical_formula_structural     'Pr4 Ga2 O9'
_chemical_formula_sum            'Ga8 O36 Pr16'
_chemical_formula_weight         847.08
_chemical_name_common            Pr4Ga2O9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.1872(33)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.82559(42)
_cell_length_b                   11.03223(53)
_cell_length_c                   11.49591(65)
_cell_measurement_temperature    295(2)
_cell_volume                     937.35(9)
_diffrn_ambient_temperature      295(2)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0260
_pd_proc_ls_prof_wR_expected     0.0232
_pd_proc_ls_prof_wR_factor       0.0345
_cod_depositor_comments
;
 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-12
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Pr16 Ga8 O36'
_cod_database_code               8101617
#BEGIN Tags that were not found in dictionaries:
_pd_proc_ls_prof_r_factor_on_i   0.0333
_pd_proc_ls_prof_r_factor_on_f   0.0150
#END Tags that were not found in dictionaries
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'
loop_
_atom_site_label
_atom_site_type_symbol
_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) Pr 0.51953(213) 0.10000(166) 0.78154(111) 1.0 Uiso 0.006 4 e
PR(2) Pr 0.02713(222) 0.09121(150) 0.80561(127) 1.0 Uiso 0.006 4 e
PR(3) Pr 0.33242(265) 0.12226(186) 0.42402(168) 1.0 Uiso 0.006 4 e
PR(4) Pr 0.83441(290) 0.12142(184) 0.41898(167) 1.0 Uiso 0.006 4 e
GA(1) Ga 0.21517(454) 0.18975(320) 0.13652(314) 1.0 Uiso 0.009 4 e
GA(2) Ga 0.66036(415) 0.18426(284) 0.11732(275) 1.0 Uiso 0.009 4 e
O(1) O 0.76090(871) 0.14617(515) 0.80393(531) 1.0 Uiso 0.012 4 e
O(2) O 0.20228(665) 0.23632(420) 0.79659(430) 1.0 Uiso 0.012 4 e
O(3) O 0.17626(948) 0.01831(667) 0.18971(667) 1.0 Uiso 0.012 4 e
O(4) O 0.02996(917) 0.21937(698) 0.93973(719) 1.0 Uiso 0.012 4 e
O(5) O 0.40439(777) 0.22636(380) 0.08271(458) 1.0 Uiso 0.012 4 e
O(6) O 0.63625(992) 0.22447(790) 0.95042(830) 1.0 Uiso 0.012 4 e
O(7) O 0.73650(667) 0.00880(484) 0.17255(422) 1.0 Uiso 0.012 4 e
O(8) O 0.02770(956) 0.01956(521) 0.37433(532) 1.0 Uiso 0.012 4 e
O(9) O 0.61255(921) 0.99080(555) 0.38990(598) 1.0 Uiso 0.012 4 e
