#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537516.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_1537516
loop_
_publ_author_name
'Kierkegaard, P.'
_publ_section_title
;
 The crystal structure of Na W O2 P O4 and Na Mo O2 P O4
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              553
_journal_page_last               575
_journal_volume                  18
_journal_year                    1962
_chemical_formula_sum            'Mo Na O6 P'
_chemical_name_systematic        'Na (Mo O2) (P O4)'
_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                 91.19
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.08
_cell_length_b                   11.96
_cell_length_c                   6.359
_cell_volume                     918.530
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Kierkegaard_ARKEAD_1962_1693.cif
_cod_data_source_block           Mo1Na1O6P1
_cod_original_cell_volume        918.5298
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Mo1 Na1 O6 P1'
_cod_database_code               1537516
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
O5 O-2 0.47 0.475 0.25 1 0.0
O8 O-2 0.44 0.07 0.25 1 0.0
O7 O-2 0.25 0.48 0.25 1 0.0
O11 O-2 0.34 0.045 0.75 1 0.0
P2 P+5 0.122 0.458 0.25 1 0.0
O9 O-2 0.01 0.185 0.25 1 0.0
O3 O-2 0.09 0.39 0.055 1 0.0
P1 P+5 0.06 0.109 0.75 1 0.0
Mo2 Mo+6 0.11 0.397 0.75 1 0.0
O1 O-2 0.64 0.405 0.05 1 0.0
O6 O-2 0.03 0.235 0.75 1 0.0
Mo1 Mo+6 0.133 0.103 0.25 1 0.0
Na2 Na+1 0.35 0.34 0.435 1 0.0
Na1 Na+1 0.395 0.205 0.985 1 0.0
O4 O-2 0.09 0.39 0.45 1 0.0
O10 O-2 0.235 0.21 0.25 1 0.0
O2 O-2 0.64 0.405 0.44 1 0.0
O12 O-2 0.245 0.305 0.75 1 0.0
