#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008181.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008181
loop_
_publ_author_name
'Sljukic, M.'
'Matkovic, B.'
'Prodic, B.'
'Anderson, D.'
_publ_section_title
;
 The crystal structure of KZr2(PO4)3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              148
_journal_page_last               161
_journal_volume                  130
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K O12 P3 Zr2'
_chemical_name_mineral           Kosnarite
_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_length_a                   8.71
_cell_length_b                   8.71
_cell_length_c                   23.89
_cell_formula_units_Z            6
_cell_volume                     1569.579
_database_code_amcsd             0010697
_exptl_crystal_density_diffrn    3.215
_cod_original_cell_volume        1569.578
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'K Zr2 P3 O12'
_cod_database_code               9008181
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,1/2+z
2/3+x,1/3+x-y,5/6+z
1/3+x,2/3+x-y,1/6+z
y,x,1/2-z
2/3+y,1/3+x,5/6-z
1/3+y,2/3+x,1/6-z
-x+y,y,1/2+z
2/3-x+y,1/3+y,5/6+z
1/3-x+y,2/3+y,1/6+z
-x,-x+y,1/2-z
2/3-x,1/3-x+y,5/6-z
1/3-x,2/3-x+y,1/6-z
-y,-x,1/2+z
2/3-y,1/3-x,5/6+z
1/3-y,2/3-x,1/6+z
x-y,-y,1/2-z
2/3+x-y,1/3-y,5/6-z
1/3+x-y,2/3-y,1/6-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.04785 0.04785 0.01735 0.02392 0.00000 0.00000
Zr 0.00519 0.00519 0.00578 0.00259 0.00000 0.00000
P 0.00461 0.00461 0.00867 0.00231 0.00000 0.00000
O1 0.01816 0.01268 0.01157 0.00634 0.00000 -0.00822
O2 0.01845 0.01211 0.00867 0.00605 0.00000 -0.00274
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.00000 0.00000 0.00000
Zr 0.00000 0.00000 0.14970
P -0.28700 0.00000 0.25000
O1 0.30670 0.46850 0.26280
O2 0.16800 0.21120 0.19940
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010697
