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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/1/53/11/1531117.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_1531117
loop_
_publ_author_name
'Belik, A.A.'
'Gutan, V.B.'
'Ivanov, L.N.'
'Lazoryak, B.I.'
_publ_section_title
;
 Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M =
 Li, Na, K)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              885
_journal_page_last               892
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Ca9 Mn Na O28 P7'
_chemical_name_systematic        'Ca9 Mn 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                   10.3764
_cell_length_b                   10.3764
_cell_length_c                   37.079
_cell_volume                     3457.419
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Belik_ZNOKAQ_2001_113.cif
_cod_data_source_block           Ca9Mn1Na1O28P7
_cod_original_formula_sum        'Ca9 Mn1 Na1 O28 P7'
_cod_database_code               1531117
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
Ca1 Ca+2 0.728 0.8578 0.4325 1 0.0
O5 O-2 0.729 0.0046 0.1126 1 0.0
Ca3 Ca+2 0.1194 0.2662 0.3254 1 0.0
P2 P+5 0.6872 0.8583 0.1353 1 0.0
O9 O-2 0.8237 0.921 0.0403 1 0.0
P1 P+5 0 0 0.2659 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
O8 O-2 0.5698 0.6921 0.0525 1 0.0
O1 O-2 0 0 0.3088 1 0.0
O10 O-2 0.6197 0.8222 0.992 1 0.0
O3 O-2 0.7511 0.9285 0.1746 1 0.0
Na1 Na+1 0 0 0.1851 1 0.0
O2 O-2 0.0107 0.8643 0.2519 1 0.0
O6 O-2 0.5205 0.771 0.1314 1 0.0
O7 O-2 0.608 0.957 0.0456 1 0.0
O4 O-2 0.765 0.774 0.122 1 0.0
Ca2 Ca+2 0.616 0.8228 0.2316 1 0.0
P3 P+5 0.6534 0.8479 0.0318 1 0.0
