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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/25/9012519.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_9012519
loop_
_publ_author_name
'Kang, H. Y.'
'Lee, W. C.'
'Wang, S. L.'
_publ_section_title
;
 Hydrothermal synthesis and structural characterization of four layered
 vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4743
_journal_page_last               4748
_journal_paper_doi               10.1021/ic00049a007
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca H8 O14 P2 V2'
_chemical_name_mineral           Sincosite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                106.81
_cell_angle_beta                 94.09
_cell_angle_gamma                90.02
_cell_length_a                   6.3484
_cell_length_b                   6.350
_cell_length_c                   6.597
_cell_formula_units_Z            1
_cell_volume                     253.867
_database_code_amcsd             0012705
_exptl_crystal_density_diffrn    2.852
_cod_original_formula_sum        'Ca V2 P2 O14 H8'
_cod_database_code               9012519
loop_
_space_group_symop_operation_xyz
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
Ca 0.65020 0.90100 0.49830 0.01570
V1 0.34220 0.86250 0.94130 0.00580
V2 0.85040 0.42920 0.12180 0.00590
P1 0.34250 0.39780 0.03670 0.00610
P2 0.84300 0.89870 0.02350 0.00560
O1 0.38390 0.92410 0.19440 0.01200
O2 0.35080 0.53420 0.87750 0.01000
O3 0.03130 0.82790 0.88760 0.01000
O4 0.31420 0.15890 0.89910 0.01100
O5 0.64730 0.87430 0.86530 0.00900
O6b 0.30900 0.77440 0.56080 0.01200
H6A 0.25990 0.88970 0.55310 0.05000
H6B 0.25170 0.65060 0.45370 0.05000
O7 0.83540 0.35710 -0.12990 0.01700
O8 0.81920 0.75600 0.17380 0.00870
O9 0.16320 0.46870 0.18680 0.00990
O10 0.54590 0.43440 0.18750 0.01000
O11 0.87080 0.13510 0.17200 0.00980
O12b 0.85160 0.55970 0.50170 0.01400
H12A 0.77240 0.46340 0.54010 0.05000
H12B 0.97180 0.51090 0.53690 0.05000
O13b 0.53400 0.27010 0.53420 0.01600
H13A 0.41240 0.35350 0.62350 0.05000
H13B 0.53880 0.32560 0.41910 0.05000
O14b 0.00790 0.06240 0.54030 0.01700
H14A 0.00780 0.15220 0.46070 0.05000
H14B 0.07060 -0.03560 0.46310 0.05000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012705
