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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106406.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_2106406
loop_
_publ_author_name
'Nord, A.G.'
'Stefanidis, T.'
_publ_section_title
;
 A neutron diffraction study of gamma-(Zn0.7 Ni0.3)3 (P O4)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1509
_journal_page_last               1511
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ni0.9 O8 P2 Zn2.1'
_chemical_name_systematic        '(Zn0.7 Ni0.3)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                 94.48
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.505
_cell_length_b                   8.316
_cell_length_c                   5.056
_cell_volume                     314.589
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Nord_ACBCAR_1981_1516.cif
_cod_data_source_block           Ni0.9O8P2Zn2.1
_cod_original_cell_volume        314.5888
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               2106406
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
O3 O-2 0.258 0.363 0.947 1 0.0
O1 O-2 0.042 0.138 0.829 1 0.0
Ni2 Ni+2 0 0 0.5 0.3 0.0
P1 P+5 0.191 0.198 0.028 1 0.0
O2 O-2 0.122 0.202 0.302 1 0.0
O4 O-2 0.364 0.076 0.048 1 0.0
Zn2 Zn+2 0 0 0.5 0.7 0.0
Zn1 Zn+2 0.617 0.144 0.096 0.7 0.0
Ni1 Ni+2 0.617 0.144 0.096 0.3 0.0
