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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/21/1522195.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_1522195
loop_
_publ_author_name
'Wong-Ng, W.'
'Swartzendruber, L.J.'
'Kaduk, J.A.'
'Brown, H.J.'
'Young, R.A.'
'Jiang, F.'
_publ_section_title
;
 Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              181
_journal_page_last               189
_journal_volume                  14
_journal_year                    1999
_chemical_formula_sum            'Ca0.85 O6 Pt Sr3.15'
_chemical_name_systematic        '(Sr3.15 Ca0.85) Pt O6'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.724
_cell_length_b                   9.724
_cell_length_c                   11.5214
_cell_volume                     943.465
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_1999_681.cif
_cod_data_source_block           Ca0.85O6Pt1Sr3.15
_cod_original_formula_sum        'Ca0.85 O6 Pt1 Sr3.15'
_cod_database_code               1522195
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Pt1 Pt+4 0 0 0 1 0.0
O1 O-2 0.1802 0.0259 0.1055 1 0.0
Ca1 Ca+2 0 0 0.25 0.85 0.0
Sr2 Sr+2 0.3655 0 0.25 1 0.0
Sr1 Sr+2 0 0 0.25 0.15 0.0
