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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/1/54/10/1541077.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_1541077
loop_
_publ_author_name
'Palkina, K.K.'
'Chudinova, N.N.'
'Maksimova, S.I.'
'Vinogradova, N.V.'
'Chibiskova, N.T.'
_publ_section_title
;
 The structure of crystals of potassium ytterbium polyphosphate K Yb (P
 O3)4
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              110
_journal_page_last               115
_journal_volume                  17
_journal_year                    1981
_chemical_formula_sum            'K O12 P4 Yb'
_chemical_name_systematic        'K Yb (P O3)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.36
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.766
_cell_length_b                   8.853
_cell_length_c                   14.831
_cell_volume                     1013.391
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Palkina_IVNMAW_1981_1775.cif
_cod_data_source_block           K1O12P4Yb1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'K1 O12 P4 Yb1'
_cod_database_code               1541077
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
P3 P+5 0.68565 0.26901 0.44849 1 0.0
O4 O-2 0.85613 0.22439 0.40113 1 0.0
O2 O-2 0.14991 0.12343 0.39971 1 0.0
O1 O-2 0.63773 0.33879 0.21147 1 0.0
O5 O-2 0.28805 0.37362 0.16171 1 0.0
O8 O-2 0.5754 0.13469 0.45464 1 0.0
O7 O-2 0.34334 0.10527 0.27495 1 0.0
Yb1 Yb+3 0.45307 0.15645 0.14711 1 0.0
O10 O-2 0.5885 0.38203 0.37397 1 0.0
P1 P+5 0.19302 0.0335 0.31161 1 0.0
O12 O-2 0.70587 0.04919 0.19773 1 0.0
O9 O-2 0.59452 0.21676 0.02719 1 0.0
O6 O-2 0.23835 0.13935 0.03184 1 0.0
P2 P+5 0.05394 0.27217 0.42676 1 0.0
O3 O-2 0.026 0.06421 0.2391 1 0.0
O11 O-2 0.09647 0.40114 0.37038 1 0.0
P4 P+5 0.63783 0.45341 0.28389 1 0.0
K1 K+1 0.91956 0.35441 0.11064 1 0.0
