#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/13/8101300.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_8101300
loop_
_publ_author_name
'Gesing, Thorsten M.'
'Uecker, Reinhard'
'Buhl, J.-C.'
_publ_section_title
;
Crystal structure of distrontium lanthanum gallium pentaoxide, Sr₂LaGaO₅
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              317
_journal_page_last               317
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         Sr2LaGaO5
_chemical_formula_structural     'Sr2 La Ga O5'
_chemical_formula_sum            'Ga La O5 Sr2'
_chemical_formula_weight         463.87
_chemical_name_common            Sr2LaGaO5
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.93387(44)
_cell_length_b                   6.93387(44)
_cell_length_c                   11.28230(81)
_cell_measurement_temperature    295(2)
_cell_volume                     542.44(6)
_diffrn_ambient_temperature      295(2)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0180
_pd_proc_ls_prof_wR_expected     0.0126
_pd_proc_ls_prof_wR_factor       0.0271
_cod_database_code               8101300
#BEGIN Tags that were not found in dictionaries:
_pd_proc_ls_prof_r_factor_on_i   0.0314
_pd_proc_ls_prof_r_factor_on_f   0.0193
#END Tags that were not found in dictionaries
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
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) 0.18095(134) 0.68095 0.0 0.5 Uiso 0.017 8 h
La(1) 0.18095(134) 0.68095 0.0 0.5 Uiso 0.017 8 h
Sr(2) 0.0 0. 0.25 1.0 Uiso 0.015 4 a
Ga(1) 0.0 0.5 0.25 1.0 Uiso 0.018 4 b
O(1) 0.0 0.0 0.0 1.0 Uiso 0.032 4 c
O(2) 0.14343(820) 0.64343 0.64207(497) 1.0 Uiso 0.035 16 l
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sr1 O2 2.46(6) y
Sr1 O2 2.46(6) y
Sr1 O1 2.543(4) y
Sr1 O1 2.543(4) y
Sr1 O2 2.75(4) y
Sr1 O2 2.75(4) y
Sr1 O2 2.75(4) y
Sr1 O2 2.75(4) y
Sr2 O1 2.821(2) y
Sr2 O1 2.821(2) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Sr2 O2 2.95(3) y
Ga1 O2 1.76(6) y
Ga1 O2 1.76(6) y
Ga1 O2 1.76(6) y
Ga1 O2 1.76(6) y
