#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/02/2020219.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020219
loop_
_publ_author_name
'Weller, M.T.'
'Bell, R.G.'
_publ_section_title
;
 The structure of Mo O2 D P O4 D2 O by powder neutron diffraction
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1516
_journal_page_last               1518
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'D3 Mo O7 P'
_chemical_name_systematic        'Mo O2 D P O4 D2 O'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.892
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7104
_cell_length_b                   6.3437
_cell_length_c                   6.9864
_cell_volume                     279.658
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Weller_ACSCEE_1988_1597.cif
_cod_data_source_block           D3Mo1O7P1
_cod_original_cell_volume        279.6581
_cod_original_formula_sum        'D3 Mo1 O7 P1'
_cod_database_code               2020219
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
O3 O-2 0.84126 0.25 0.56977 1 0.0
O2 O-2 0.46572 0.25 0.48227 1 0.0
O6 O-2 0.04725 0.25 0.22267 1 0.0
P1 P+5 0.66761 0.25 0.66692 1 0.0
D2 D+1 0.73357 0.25 0.28638 1 0.0
O5 O-2 0.60644 0.25 0.15486 1 0.0
O1 O-2 0.67911 0.43443 0.81103 1 0.0
D1 D+1 0.98517 0.25 0.68544 1 0.0
Mo1 Mo+6 0.27699 0.25 0.17815 1 0.0
D3 D+1 0.65392 0.25 0.03969 1 0.0
O4 O-2 0.20143 0.25 0.91289 1 0.0
