#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531936.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1531936
loop_
_publ_author_name
'Neeraj, S.'
'Noy, M.L.'
'Cheetham, A.K.'
_publ_section_title
;
 Structure and magnetic properties of a three-dimensional framework
 manganese(II) phosphate, (N H4) (Mn4 (P O4)3)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              397
_journal_page_last               404
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'H4 Mn4 N O12 P3'
_chemical_name_systematic        '(N H4) (Mn4 (P O4)3)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8856
_cell_length_b                   16.745
_cell_length_c                   6.4639
_cell_volume                     1069.998
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Neeraj_SSSCFJ_2002_929.cif
_cod_data_source_block           H4Mn4N1O12P3
_cod_original_formula_sum        'H4 Mn4 N1 O12 P3'
_cod_database_code               1531936
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
N1 N-3 0.798 0.031 0 1 0.0
O1 O-2 0.5855 0.1244 0.1933 1 0.0
O2 O-2 0.1318 0.5231 0 1 0.0
O6 O-2 0.6146 0.2532 0 1 0.0
P2 P+5 -0.0413 0.2177 0 1 0.0
O9 O-2 0.115 0.226 0 1 0.0
O4 O-2 0.3518 0.4555 0 1 0.0
O3 O-2 0.8962 0.3041 0 1 0.0
P3 P+5 0.2848 0.5367 0 1 0.0
O8 O-2 0.3884 0.1851 0 1 0.0
Mn1 Mn+2 0.0442 0.4045 0 1 0.0
P1 P+5 0.5433 0.1685 0 1 0.0
Mn2 Mn+2 0.4767 0.3594 0 1 0.0
Mn3 Mn+2 0.7498 0.2963 0.7475 1 0.0
O7 O-2 0.6704 0.4129 0.1871 1 0.0
O5 O-2 0.4071 0.322 0.6968 1 0.0
