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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/1/52/55/1525584.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_1525584
loop_
_publ_author_name
'Arbi, K.'
'Ben Hassan-Chehimi, D.'
'Trabelsi-Ayadi, M.'
'Silvestre, J.P.'
_publ_section_title
;
 Structure refinement of potassium-samarium cyclotetraphosphate K Sm P4
 O12
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1533
_journal_page_last               1539
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'K O12 P4 Sm'
_chemical_name_systematic        'K Sm (P4 O12)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.78
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.861
_cell_length_b                   12.415
_cell_length_c                   10.569
_cell_volume                     964.376
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Arbi_MRBUAC_2000_294.cif
_cod_data_source_block           K1O12P4Sm1
_cod_original_cell_volume        964.3765
_cod_original_formula_sum        'K1 O12 P4 Sm1'
_cod_database_code               1525584
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
P2 P+5 0.4585 0.6707 0.5008 1 0.0
Sm1 Sm+3 0 0.6199 0.25 1 0.0
O6 O-2 0.4301 0.5723 0.5869 1 0.0
O2 O-2 0.56 0.7554 0.5979 1 0.0
O4 O-2 0.2186 0.4741 0.6744 1 0.0
P1 P+5 0.2833 0.4775 0.5592 1 0.0
O1 O-2 0.1508 0.4872 0.4181 1 0.0
K1 K+1 0 0.3161 0.25 1 0.0
O5 O-2 0.4068 0.3742 0.5714 1 0.0
O3 O-2 0.2901 0.7009 0.3874 1 0.0
