#------------------------------------------------------------------------------
#$Date: 2015-07-12 18:27:31 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147113 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/60/1526018.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_1526018
loop_
_publ_author_name
'Finch, R.J.'
'Hanchar, J.M.'
'Burns, P.C.'
'Hoskin, P.W.O.'
_publ_section_title
;
 Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray
 study of xenotime substitution
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               689
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'O4 P0.012 Si0.988 Sm0.01 Zr0.99'
_chemical_name_systematic        '(Zr0.99 Sm0.01) (Si0.988 P0.012) O4'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6119
_cell_length_b                   6.6119
_cell_length_c                   5.983
_cell_volume                     261.560
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Finch_AMMIAY_2001_896.cif
_cod_data_source_block           O4P0.012Si0.988Sm0.01Zr0.99
_cod_original_cell_volume        261.5601
_cod_database_code               1526018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
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
Si1 Si+4 0 0.25 0.375 0.988 0.0
Zr1 Zr+4 0 0.75 0.125 0.99 0.0
P1 P+5 0 0.25 0.375 0.012 0.0
O1 O-2 0 0.0658 0.1953 1 0.0
Sm1 Sm+3 0 0.75 0.125 0.01 0.0
