#------------------------------------------------------------------------------
#$Date: 2015-10-09 10:13:45 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161243 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/44/1534471.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_1534471
loop_
_publ_author_name
'Genkina, E.A.'
'Khomyakov, A.P.'
'Malinovskii, Yu.A.'
_publ_section_title
;
 Crystal structure of Sr-containing britholith
;
_journal_name_full               Kristallografiya
_journal_page_first              39
_journal_page_last               43
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Ca1.12 Ce3.38 F0.38 O12.5 Si3 Sr0.5'
_chemical_name_systematic
;
(Ce0.40 Ca0.35 Sr0.25)2 (Ce0.86 Ca0.14)3 (Si O4)3 (O.5 F.38)
;
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.638
_cell_length_b                   9.638
_cell_length_c                   7.081
_cell_volume                     569.638
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Genkina_KRISAJ_1991_1075.cif
_cod_data_source_block           Ca1.12Ce3.38F0.38O12.5Si3Sr0.5
_cod_original_cell_volume        569.6381
_cod_database_code               1534471
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
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
Ca2 Ca+2 0.3333 0.6667 0.9959 0.35 0.0
Ce1 Ce+3 0.7479 0.9877 0.25 0.86 0.0
Si1 Si+4 0.9709 0.3722 0.25 1 0.0
O3 O-2 0.5117 0.6739 0.25 1 0.0
F1 F-1 0 0 0.177 0.19 0.0
Ce2 Ce+3 0.3333 0.6667 0.9959 0.4 0.0
Sr1 Sr+2 0.3333 0.6667 0.9959 0.25 0.0
O1 O-2 0.5932 0.1245 0.25 1 0.0
Ca1 Ca+2 0.7479 0.9877 0.25 0.14 0.0
O2 O-2 0.3421 0.0871 0.0701 1 0.0
O4 O-2 0 0 0.177 0.25 0.0
