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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/1/54/18/1541837.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_1541837
loop_
_publ_author_name
'Zhou, K.-J.'
'Qian, Y.-T.'
'Hong, G.-Y.'
_publ_section_title
;
 Thulium ultraphosphate, Tm P5 O14
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              1695
_journal_page_last               1699
_journal_volume                  11
_journal_year                    1982
_chemical_formula_sum            'O14 P5 Tm'
_chemical_name_systematic        'Tm P5 O14'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.25
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.822
_cell_length_b                   12.709
_cell_length_c                   12.358
_cell_volume                     2013.316
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Zhou_CSCMCS_1982_1390.cif
_cod_data_source_block           O14P5Tm1
_cod_original_formula_sum        'O14 P5 Tm1'
_cod_database_code               1541837
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
O14 O-2 0.4396 0.0967 0.367 1 0.0
O11 O-2 0.1126 0.0368 0.8847 1 0.0
P5 P+5 0.1462 0.0345 -0.0015 1 0.0
O4 O-2 0.2452 0.2359 0.6356 1 0.0
P1 P+5 0.1769 0.2493 0.2596 1 0.0
O9 O-2 0.347 0.0473 0.1782 1 0.0
Tm2 Tm+3 0 0.02014 0.25 1 0.0
Tm1 Tm+3 0 0.4685 0.25 1 0.0
O13 O-2 0.4737 0.1013 0.5743 1 0.0
O3 O-2 0.2587 0.2275 0.1652 1 0.0
P2 P+5 0.1496 0.168 0.6028 1 0.0
O5 O-2 0.1943 0.0811 0.527 1 0.0
O6 O-2 0.0893 0.1291 0.692 1 0.0
P4 P+5 0.3179 0.1371 0.1091 1 0.0
O8 O-2 0.4093 0.1985 0.0556 1 0.0
O10 O-2 0.2503 0.1041 0.0081 1 0.0
O12 O-2 0.0762 0.0658 0.0862 1 0.0
O7 O-2 0.4128 0.2613 0.4779 1 0.0
P3 P+5 0.4749 0.1506 0.4669 1 0.0
O1 O-2 0.1142 0.1554 0.2835 1 0.0
O2 O-2 0.3723 0.1499 0.7697 1 0.0
