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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528928.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_1528928
loop_
_publ_author_name
'Ting, V.'
'Liu, Y.'
'Noren, L.'
'Withers, R.L.'
'James, M.'
'Fitz Gerald, J.D.'
_publ_section_title
;
 A structure and phase analysis investigation of the 1:1 ordered A2 In Nb
 O6 perovskites (A = Ca(2+), Sr(2+), Ba(2+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              551
_journal_page_last               562
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'In Nb O6 Sr2'
_chemical_name_systematic        'Sr2 In Nb O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.995
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7351
_cell_length_b                   5.7416
_cell_length_c                   8.1102
_cell_volume                     267.058
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Ting_JSSCBI_2006_928.cif
_cod_data_source_block           In1Nb1O6Sr2
_cod_original_cell_volume        267.0579
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'In1 Nb1 O6 Sr2'
_cod_database_code               1528928
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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_U_iso_or_equiv
O1 O-2 0.2879 0.7757 0.9663 1 0.0
Sr1 Sr+2 0.5046 -0.0214 0.2486 1 0.0
O2 O-2 0.2243 0.2879 0.9663 1 0.0
In1 In+3 0 0 0 1 0.0
O3 O-2 0.0674 0.0134 0.2606 1 0.0
Nb1 Nb+5 0.5 0.5 0 1 0.0
