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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/2/10/66/2106693.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_2106693
loop_
_publ_author_name
'Hong, H.Y.-P.'
_publ_section_title
;
 Crystal structures of neodymium metaphosphate (Nd P3 O9) and
 ultraphosphate (Nd P5 O14)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              468
_journal_page_last               474
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Nd O9 P3'
_chemical_name_systematic        'Nd (P3 O9)'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.172
_cell_length_b                   8.533
_cell_length_c                   7.284
_cell_volume                     694.389
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Hong_ACBCAR_1974_1958.cif
_cod_data_source_block           Nd1O9P3
_cod_original_cell_volume        694.3886
_cod_original_formula_sum        'Nd1 O9 P3'
_cod_database_code               2106693
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
O3 O-2 0.193 0.021 0.21 1 0.0
P2 P+5 0.3243 0.9916 0.2017 1 0.0
O4 O-2 0.123 0.345 0.21 1 0.0
Nd1 Nd+3 0 0.1265 0.25 1 0.0
P1 P+5 0 0.7493 0.25 1 0.0
O5 O-2 0.392 0.136 0.294 1 0.0
O1 O-2 0.374 0 0 1 0.0
O2 O-2 0.482 0.353 0.074 1 0.0
