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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/9/01/18/9011877.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_9011877
loop_
_publ_author_name
'Krutik, V. M.'
'Pushcharovsky, D. Y.'
'Khomyakov, A. P.'
'Pobedimskaya, E. A.'
'Belov, N. V.'
_publ_section_title
;
 Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra)
 in the structure of monoclinic fosinaite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              138
_journal_page_last               142
_journal_volume                  25
_journal_year                    1980
_chemical_compound_source        'Khibiny pegmatites, Kola Peninsula, Russia'
_chemical_formula_sum            'Ca2 Na6 O14 P2 Si2'
_chemical_name_mineral           Clinophosinaite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.93
_cell_angle_gamma                90
_cell_length_a                   7.303
_cell_length_b                   12.201
_cell_length_c                   14.715
_cell_formula_units_Z            4
_cell_volume                     1310.420
_database_code_amcsd             0015582
_exptl_crystal_density_diffrn    2.840
_cod_original_formula_sum        'Na6 Ca2 Si2 P2 O14'
_cod_database_code               9011877
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,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_occupancy
_atom_site_U_iso_or_equiv
Na1 0.00000 0.46220 0.25000 1.00000 0.02546
Na2 0.00000 0.17090 0.25000 1.00000 0.03242
Na3 0.50000 0.12510 0.75000 1.00000 0.05281
Na4 0.50000 0.16410 0.25000 1.00000 0.04028
Na5 0.50000 0.45450 0.25000 1.00000 0.02330
Na6 0.50000 0.50000 0.00000 1.00000 0.00912
Na7 0.48410 0.17600 -0.00550 1.00000 0.03420
Na8 0.25520 0.33780 0.39070 1.00000 0.01216
Na9 0.26720 0.00410 0.11650 1.00000 0.04420
Ca1 0.00000 0.50000 0.00000 1.00000 0.00621
Ca2 0.00000 0.14340 0.75000 1.00000 0.01849
Ca3 0.00020 0.19090 0.51470 1.00000 0.01545
Si1 0.30050 0.31570 0.63910 1.00000 0.00671
Si2 0.26580 0.35780 0.84050 1.00000 0.00595
P1 0.25430 0.30660 0.13400 1.00000 0.00785
P2 0.24310 0.02810 0.37970 1.00000 0.01102
O1 0.24960 0.18780 0.64990 1.00000 0.01722
O2 0.21440 0.36810 0.54770 1.00000 0.02064
O3 0.47590 0.32030 0.86510 1.00000 0.03698
O4 0.25380 0.38790 0.72980 1.00000 0.01862
O5 0.21830 0.46890 0.89000 1.00000 0.01722
O6 0.14270 0.25260 0.85930 1.00000 0.02774
O7 0.25860 0.18580 0.10430 1.00000 0.02634
O8 0.25090 0.31550 0.23790 1.00000 0.02052
O9 0.07430 0.35450 0.09250 1.00000 0.01608
O10 0.42230 0.36440 0.09990 1.00000 0.01532
O11 0.23480 0.15010 0.40820 1.00000 0.02368
O12 0.07420 0.02630 0.91470 0.50000 0.04901
O13 0.20800 0.01510 0.27960 0.50000 0.04851
O14 0.42260 0.02060 0.90880 0.50000 0.04673
O15 0.38540 0.01850 0.30280 0.50000 0.01102
O16 0.26150 0.05170 0.95650 0.50000 0.04040
O17 0.06680 0.01210 0.31490 0.50000 0.03876
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015582
