#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/30/00/2300034.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_2300034
loop_
_publ_author_name
'Henry, Paul F.'
'Weller, Mark T.'
'Wilson, Chick C.'
_publ_section_title
;
 Determination of the cation distribution in Fe₂Ni(PO₄)₂ using
 isotopic substitution and powder neutron diffraction
;
_journal_issue                   6
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1361
_journal_page_last               1367
_journal_paper_doi               10.1107/S0021889803017515
_journal_volume                  36
_journal_year                    2003
_chemical_formula_sum            'Fe2 O7 P2'
_chemical_formula_weight         285.64
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.43(4)
_cell_angle_beta                 103.80(4)
_cell_angle_gamma                92.49(6)
_cell_formula_units_Z            2
_cell_length_a                   6.643(3)
_cell_length_b                   8.447(5)
_cell_length_c                   4.495(3)
_cell_volume                     244.7(2)
_cod_data_source_file            he0320.cif
_cod_data_source_block           ISO191A_phase_2
_cod_original_cell_volume        244.66275
_cod_database_code               2300034
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
-1 -x,-y,-z
101 +x+1/2,+y+1/2,+z
-101 -x+1/2,-y+1/2,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
FE1 0.0096 0.3101 0.483 0.015 Uiso 1.0 FE
P2 0.7884 -0.0006 0.0899 0.015 Uiso 1.0 P
O3 0.0 0.0 0.0 0.015 Uiso 1.0 O
O4 0.3748 0.0047 0.2148 0.015 Uiso 1.0 O
O5 0.7892 0.1487 0.2741 0.015 Uiso 1.0 O
O6 0.2745 0.3527 0.2782 0.015 Uiso 1.0 O
loop_
_atom_type_symbol
FE
P
O
