#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4000544.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_4000544
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_sum	'Ca O4 Rh2'
_chemical_formula_weight	309.887
_cell_length_a	 9.0354(3)
_cell_length_b	 3.0340(1)
_cell_length_c	10.7062(3)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	293.49(2)
_cell_formula_units_Z	4
_symmetry_int_tables_number	62
_symmetry_space_group_name_H-M	'P n m a'
_symmetry_space_group_name_Hall	'-P_2ac_2n'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z '
 '1/2-x, -y, 1/2+z '
 '1/2+x, 1/2-y, 1/2-z '
 '-x, 1/2+y, -z '
 '-x, -y, -z '
 '1/2+x, y, 1/2-z '
 '1/2-x, 1/2+y, 1/2+z '
 'x, 1/2-y, z '
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
Ca1 Ca  0.2381(1)  0.2500  0.3401(1)  1.000 4 c ? d Uani  0.01227(11)
Rh1 Rh  0.0864(0)  0.2500  0.6001(0)  1.000 4 c ? d Uani  0.00568(5)
Rh2 Rh  0.0563(0)  0.2500  0.1151(0)  1.000 4 c ? d Uani  0.00534(5)
O1 O  0.3015(3)  0.2500  0.6622(2)  1.000 4 c ? d Uani  0.00699(30)
O2 O  0.3825(2)  0.2500 -0.0236(2)  1.000 4 c ? d Uani  0.00528(30)
O3 O  0.4688(3)  0.2500  0.2114(2)  1.000 4 c ? d Uani  0.00598(30)
O4 O  0.0850(2)  0.2500 -0.0726(2)  1.000 4 c ? d Uani  0.00528(30)