#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/30/05/2300527.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_2300527
loop_
_publ_author_name
'Nord, A.G.'
_publ_section_title
;
 Use of the Rietveld technique for estimating cation distributions
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              55
_journal_page_last               60
_journal_volume                  17
_journal_year                    1984
_chemical_formula_sum            'Fe0.9 O8 P2 Zn2.1'
_chemical_name_systematic        '(Zn.70 Fe.30)3 (P O4)2'
_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                 95.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.558
_cell_length_b                   8.536
_cell_length_c                   5.042
_cell_volume                     323.841
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Nord_JACGAR_1984_1102.cif
_cod_data_source_block           Fe0.9O8P2Zn2.1
_cod_original_cell_volume        323.8415
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               2300527
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
Fe2 Fe+2 0 0 0.5 0.724 0.0
O3 O-2 0.255 0.356 0.93 1 0.0
Zn1 Zn+2 0.619 0.137 0.072 0.912 0.0
Zn2 Zn+2 0 0 0.5 0.276 0.0
Fe1 Fe+2 0.619 0.137 0.072 0.088 0.0
O2 O-2 0.129 0.201 0.304 1 0.0
O1 O-2 0.05 0.13 0.824 1 0.0
O4 O-2 0.364 0.081 0.052 1 0.0
P1 P+5 0.201 0.191 0.026 1 0.0
