#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/36/4513648.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_4513648
loop_
_publ_author_name
'Ettis, H.'
'Mhiri, T.'
'Naili, H.'
_publ_section_title
;
 Synthesis and crystal structure of a new potassium-gadolinium
 cyclotetraphosphate, K Gd P4 O12
;
_journal_name_full               'Crystal Growth and Design'
_journal_page_first              599
_journal_page_last               602
_journal_volume                  3
_journal_year                    2003
_chemical_formula_sum            'Gd K O12 P4'
_chemical_name_systematic        'K Gd (P O3)4'
_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                 110.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.875
_cell_length_b                   12.431
_cell_length_c                   10.537
_cell_volume                     963.384
_citation_journal_id_ASTM        CGDEFU
_cod_data_source_file            Ettis_CGDEFU_2003_300.cif
_cod_data_source_block           Gd1K1O12P4
_cod_original_cell_volume        963.3845
_cod_original_formula_sum        'Gd1 K1 O12 P4'
_cod_database_code               4513648
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
O2 O-2 0.3508 0.4875 0.5818 1 0.0
O4 O-2 0.0689 0.5713 0.4119 1 0.0
P2 P+5 0.0417 0.6707 0.4982 1 0.0
Gd1 Gd+3 0.5 0.6196 0.75 1 0.0
O6 O-2 0.2108 0.7001 0.6137 1 0.0
O5 O-2 -0.0597 0.7556 0.4008 1 0.0
O3 O-2 0.0949 0.3727 0.4302 1 0.0
O1 O-2 0.2804 0.4728 0.3237 1 0.0
K1 K+1 0.5 0.6837 0.25 1 0.0
P1 P+5 0.2174 0.477 0.4403 1 0.0
