#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538522.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_1538522
loop_
_publ_author_name
'Reid, A.F.'
_publ_section_title
;
 Calcium Ytterbate, Ca Yb2 O4, an Orthorhombic Calcium Ferrite Isomorph
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              491
_journal_page_last               492
_journal_volume                  50
_journal_year                    1967
_chemical_formula_sum            'Ca O4 Yb2'
_chemical_name_systematic        'Ca Yb2 O4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.742
_cell_length_b                   3.316
_cell_length_c                   11.594
_cell_volume                     374.538
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Reid_JACTAW_1967_1774.cif
_cod_data_source_block           Ca1O4Yb2
_cod_original_formula_sum        'Ca1 O4 Yb2'
_cod_database_code               1538522
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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_U_iso_or_equiv
O1 O-2 0.297 0.25 0.672 1 0.0
O2 O-2 0.378 0.25 -0.019 1 0.0
Yb2 Yb+3 0.08 0.25 0.607 1 0.0
O3 O-2 0.481 0.25 0.214 1 0.0
O4 O-2 0.08 0.25 -0.07 1 0.0
Yb1 Yb+3 0.067 0.25 0.112 1 0.0
Ca1 Ca+2 0.245 0.25 0.346 1 0.0
