#------------------------------------------------------------------------------
#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002271.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_2002271
loop_
_publ_author_name
'Schenck, R von'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ueber ein neues Erdalkalimetall-oxoindat: Sr2 In2 O5
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              280
_journal_page_last               286
_journal_paper_doi               10.1002/zaac.19733950216
_journal_volume                  395
_journal_year                    1973
_chemical_formula_structural     'Sr2 (In2 O5)'
_chemical_formula_sum            'In2 O5 Sr2'
_chemical_name_systematic        'Distrontium diindate'
_space_group_IT_number           46
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      46
_symmetry_space_group_name_Hall  'I 2 -2b'
_symmetry_space_group_name_H-M   'I b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.049
_cell_length_b                   15.84
_cell_length_c                   5.81
_cell_volume                     556.7
_exptl_crystal_density_meas      5.8
_refine_ls_R_factor_all          0.104
_cod_database_code               2002271
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,1/2-y,z
-x,1/2+y,z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2-x,y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 8 c 0.022 0.107 0.491 1. 0 d
In1 In3+ 4 a 0. 0. 0. 1. 0 d
In2 In3+ 4 b 0.935 0.25 0.957 1. 0 d
O1 O2- 8 c 0.262 0.986 0.245 1. 0 d
O2 O2- 8 c 0.077 0.14 0.036 1. 0 d
O3 O2- 4 b 0.858 0.25 0.605 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
In3+ 3.000
O2- -2.000