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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/60/1526055.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1526055
loop_
_publ_author_name
'Morozov, V.A.'
'Kotov, R.N.'
'Belik, V.A.'
'Presnyakov, I.A.'
'Khasanov, S.S.'
'Lazoryak, B.I.'
_publ_section_title
;
 Crystal structure of calcium alkali metal phosphates Ca10 M (P O4)7 (M =
 Li, Na, K)
;
_journal_name_full               Kristallografiya
_journal_page_first              19
_journal_page_last               26
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'Ca10 Na O28 P7'
_chemical_name_systematic        'Ca10 Na (P O4)7'
_space_group_IT_number           161
_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_formula_units_Z            6
_cell_length_a                   10.4391
_cell_length_b                   10.4391
_cell_length_c                   37.30959
_cell_volume                     3521.091
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Morozov_KRISAJ_2000_160.cif
_cod_data_source_block           Ca10Na1O28P7
_cod_original_formula_sum        'Ca10 Na1 O28 P7'
_cod_database_code               1526055
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca5 Ca+2 0 0 0 1 0.0
O10 O-2 0.631 0.828 0.9921 1 0.0
Na1 Na+1 0 0 0.185 0.8 0.0
O3 O-2 0.737 0.918 0.1753 1 0.0
Ca3 Ca+2 0.1208 0.2664 0.3254 1 0.0
Na2 Na+1 0 0 0.169 0.2 0.0
P1 P+5 0 0 0.2667 1 0.0
Ca1 Ca+2 0.726 0.8589 0.4316 1 0.0
O8 O-2 0.57 0.691 0.0513 1 0.0
O5 O-2 0.727 0.012 0.1136 1 0.0
P3 P+5 0.6516 0.8469 0.0324 1 0.0
O9 O-2 0.82 0.921 0.0439 1 0.0
Ca2 Ca+2 0.616 0.8244 0.232 1 0.0
O4 O-2 0.766 0.78 0.1216 1 0.0
P2 P+5 0.6903 0.8645 0.134 1 0.0
O2 O-2 0.01 0.863 0.2542 1 0.0
O7 O-2 0.6 0.952 0.0451 1 0.0
O1 O-2 0 0 0.3098 1 0.0
O6 O-2 0.521 0.763 0.129 1 0.0
