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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009808.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_9009808
loop_
_publ_author_name
'Dick, S.'
_publ_section_title
;
 Uber die struktur von synthetischem tinsleyit K[Al2(PO4)2(OH)(H2O)]*(H2O)
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              1385
_journal_page_last               1390
_journal_volume                  54
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 H5 K O11 P2'
_chemical_name_mineral           Tinsleyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.26
_cell_angle_gamma                90
_cell_length_a                   9.499
_cell_length_b                   9.503
_cell_length_c                   9.535
_cell_volume                     837.768
_database_code_amcsd             0015845
_exptl_crystal_density_diffrn    2.664
_cod_original_formula_sum        'K Al2 P2 O11 H5'
_cod_database_code               9009808
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.51880 0.19600 0.89770 0.02800
Al1 0.39080 0.54530 0.37090 0.01100
Al2 0.60190 0.22520 0.31050 0.01000
P1 0.79510 0.02610 0.14810 0.01000
P2 0.79100 0.18510 0.63330 0.01000
O1 0.94720 0.08810 0.20300 0.01300
O2 0.67890 0.11850 0.18520 0.01300
O3 0.75990 0.01100 -0.01790 0.01100
O4 0.71240 0.38120 0.28390 0.01100
O5 0.94650 0.23400 0.66240 0.01600
O6 0.78350 0.03980 0.70540 0.01300
O7 0.69720 0.28640 0.69470 0.01400
O8 0.73850 0.16730 0.47170 0.01500
O-H9 0.49940 0.36380 0.44320 0.01100
Wat10 0.49300 0.06130 0.34980 0.02400
Wat11 0.30710 0.14880 0.53400 0.02700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015845