#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016573.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_9016573
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
'Schuelke, U.'
_publ_section_title
;
 The calcium-potassium cyclodecaphosphate hexadecahydrate: Ca4K2P10O30*16(H2O)
 _cod_database_code 1007233
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1091
_journal_page_last               1100
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Ca2 K O23 P5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.773
_cell_length_b                   15.758
_cell_length_c                   19.91409
_cell_formula_units_Z            8
_cell_volume                     4635.859
_database_code_amcsd             0015915
_exptl_crystal_density_diffrn    1.840
_cod_original_formula_sum        'Ca2 K P5 O23'
_cod_database_code               9016573
_amcsd_formula_title             Ca4K2P10O30*16(H2O)
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.38673 0.91663 0.25000
Ca2 0.50686 0.13818 0.25000
Ca3 0.68910 0.86782 0.02917
Ca4 0.31095 0.13229 0.97174
K1 0.63750 0.77350 0.25010
K2 0.17330 0.00820 0.13230
P1 0.47630 0.84390 0.10250
P2 0.43690 0.02840 0.10336
P3 0.62630 0.06930 0.10630
P4 0.76700 0.15780 0.02750
P5 0.71270 0.19580 0.88990
P6 0.52380 0.15620 0.89861
P7 0.56320 -0.02830 0.89756
P8 0.37370 -0.06930 0.89520
P9 0.23280 0.84200 0.97348
P10 0.28730 0.80360 0.11150
O1 0.88880 0.71250 0.08530
O2 0.54840 0.81140 0.05760
O3 0.00960 0.34690 0.67590
O4 0.94440 0.56530 0.07550
O5 0.56020 -0.02810 0.67830
O6 0.64080 -0.06830 0.56990
O7 0.02490 0.42760 0.07580
O8 0.87370 0.60430 0.67420
O9 0.16460 0.51630 0.09720
O10 0.16950 0.36460 0.05550
O11 0.66370 0.59740 0.55240
O12 0.27950 0.24900 0.03840
O13 0.75490 0.13940 -0.05160
O14 0.28770 0.85970 0.32950
O15 0.74180 0.78020 0.38680
O16 0.11150 0.28800 -0.08430
O17 0.45180 0.18880 -0.05740
O18 -0.00920 0.65290 0.32480
O19 0.05500 0.43440 -0.07420
O20 0.43970 0.02760 0.32260
O21 0.35920 0.06830 0.43140
O22 -0.02650 0.57270 -0.07480
O23 0.12530 0.39400 0.32610
O24 0.83510 0.48390 -0.09530
O25 0.83070 0.63490 -0.05460
O26 0.71980 0.74990 -0.03760
O27 0.33690 0.40200 0.44860
O28 0.24470 0.86080 0.05190
O29 0.71190 0.14180 0.67170
O30 0.25740 0.22060 0.61480
O31 0.25820 0.02010 0.25140
O32 0.07740 0.22440 0.24970
O33 0.43040 0.22330 0.33450
O34 0.16420 0.07270 0.51210
O35 0.29340 0.33720 0.25600
O36 0.70430 0.93820 0.24640
O37 0.50630 0.34220 0.00920
O38 0.05200 0.87100 0.32800
O39 0.67300 0.32120 0.35990
O40 0.87600 0.90900 0.18600
O41 0.94200 0.08500 0.32720
O42 0.83500 -0.07170 0.48910
O43 0.38300 0.19750 0.18950
O44 0.00850 0.16800 0.47650
O45 0.04800 0.87600 0.14800
O46 0.16100 0.01200 0.36800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015915
