#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000446.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_4000446
_journal_name_full 'Chemistry of Materials'
_journal_year    2004
_publ_section_comment
;
studied temperature 3.5K
;
_chemical_formula_sum	'O10 Rh3 Sr4'
_chemical_formula_structural	'Sr4Rh3O10'
_chemical_name_common
;
strontium rhodium oxide
;
_chemical_name_structure_type
;
the Ruddlesden-Popper type
;
_chemical_formula_weight	819.191
_symmetry_int_tables_number	55
_symmetry_space_group_name_H-M	'P b a m'
_symmetry_space_group_name_Hall	'-P_2_2ab'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'1/2+x, 1/2-y, -z'
'1/2-x, 1/2+y, -z'
'-x, -y, -z'
'x, y, -z'
'1/2-x, 1/2+y, z'
'1/2+x, 1/2-y, z'
_cell_length_a	 5.4747(2)
_cell_length_b	 5.4747(2)
_cell_length_c	28.8137(12)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	863.61(6)
_cell_formula_units_Z	4
_diffrn_reflns_theta_full  80
_diffrn_measured_fraction_theta_full   0.99
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Sr	2.000	1.120
Rh	4.000	1.200
O	-2.000	1.210
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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Sr1 Sr  0.0000  0.5000  0.0696(3)  1.000 4 f ? d Uiso  0.00353(62)
Sr2 Sr  0.0000  0.5000  0.2041(2)  1.000 4 f ? d Uiso  0.00353(62)
Sr3 Sr  0.0000  0.0000  0.2959(2)  1.000 4 e ? d Uiso  0.00353(62)
Sr4 Sr  0.0000  0.0000  0.4304(3)  1.000 4 e ? d Uiso  0.00353(62)
Rh1 Rh  0.0000  0.0000  0.0000  1.000 2 a ? d Uiso  0.00330(79)
Rh2 Rh  0.0000  0.0000  0.1399(3)  1.000 4 e ? d Uiso  0.00330(79)
Rh3 Rh  0.0000  0.5000  0.3601(3)  1.000 4 f ? d Uiso  0.00330(79)
Rh4 Rh  0.0000  0.5000  0.5000  1.000 2 d ? d Uiso  0.00330(79)
O1 O  0.3050(13)  0.1950(13)  0.0000  1.000 4 g ? d Uiso  0.00581(77)
O2 O  0.2026(7)  0.2974(7)  0.1379(2)  1.000 8 i ? d Uiso  0.00581(77)
O3 O  0.2974(7)  0.2974(7)  0.3621(2)  0.195(25) 8 i ? d Uiso  0.00581(77)
O3' O  0.2026(7)  0.2026(7)  0.3621(2)  0.805(25) 8 i ? d Uiso  0.00581(77)
O4 O  0.1950(13)  0.1950(13)  0.5000  0.195(25) 4 h ? d Uiso  0.00581(77)
O4' O  0.3050(13)  0.3050(13)  0.5000  0.805(25) 4 h ? d Uiso  0.00581(77)
O5 O  0.0000  0.0000  0.0700(3)  1.000 4 e ? d Uiso  0.01150(74)
O6 O  0.0000  0.0000  0.2095(3)  1.000 4 e ? d Uiso  0.01150(74)
O7 O  0.0000  0.5000  0.2905(3)  1.000 4 f ? d Uiso  0.01150(74)
O8 O  0.0000  0.5000  0.4300(3)  1.000 4 f ? d Uiso  0.01150(74)
_cod_database_code 4000446