#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/02/1530297.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_1530297
loop_
_publ_author_name
'Linde, S.A.'
'Lavrov, A.V.'
'Gorbunova, Yu.E.'
'Tananaev, I.V.'
_publ_section_title
;
 Structure of crystals of potassium oxoniobium pyrophosphate K Nb O P2 O7
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              96
_journal_page_last               99
_journal_volume                  250
_journal_year                    1980
_chemical_formula_sum            'K Nb O8 P2'
_chemical_name_systematic        'K Nb O P2 O7'
_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                 90.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.171
_cell_length_b                   11.843
_cell_length_c                   11.727
_cell_volume                     718.058
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Linde_DANKAS_1980_552.cif
_cod_data_source_block           K1Nb1O8P2
_cod_original_cell_volume        718.0583
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'K1 Nb1 O8 P2'
_cod_database_code               1530297
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
P2 P+5 0.7592 0.3087 0.1495 1 0.0
O6 O-2 0.554 0.22 0.1205 1 0.0
P1 P+5 0.7513 0.937 0.136 1 0.0
O3 O-2 0.1979 0.6422 0.1875 1 0.0
O4 O-2 0.0285 0.2568 0.1383 1 0.0
O7 O-2 0.7769 0.827 0.2146 1 0.0
K1 K+1 0.7311 0.6335 0.0542 1 0.0
Nb1 Nb+5 0.259 0.1219 0.1693 1 0.0
O1 O-2 0.8013 0.8969 0.02 1 0.0
O5 O-2 0.7271 0.4154 0.0858 1 0.0
O2 O-2 0.9478 0.0209 0.1815 1 0.0
O8 O-2 0.4803 0.9827 0.1529 1 0.0
