#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/98/1539867.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_1539867
loop_
_publ_author_name
'Brochu, R.'
'Louer, M.'
'Alami, M.'
'Alqaraoui, M.'
'Louer, D.'
_publ_section_title
;
 Structure and thermal expansion of K Ge (P O4)3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              113
_journal_page_last               122
_journal_volume                  32
_journal_year                    1997
_chemical_formula_sum            'Ge2 K O12 P3'
_chemical_name_systematic        'K Ge2 (P O4)3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.0066
_cell_length_b                   8.0066
_cell_length_c                   22.566
_cell_volume                     1252.799
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Brochu_MRBUAC_1997_1756.cif
_cod_data_source_block           Ge2K1O12P3
_cod_original_formula_sum        'Ge2 K1 O12 P3'
_cod_database_code               1539867
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
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
-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
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
-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
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
P1 P+5 0.281 -0.0048 0.2505 1 0.0
K1 K+1 0 0 0 1 0.0
K2 K+1 0 0 0.5 1 0.0
Ge2 Ge+4 0 0 0.6524 1 0.0
Ge1 Ge+4 0 0 0.1476 1 0.0
O1 O-2 0.165 -0.04 0.1929 1 0.0
O3 O-2 0.167 0.187 0.0959 1 0.0
O2 O-2 0.083 -0.134 0.6987 1 0.0
O4 O-2 -0.136 -0.214 0.6023 1 0.0
