#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535059.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_1535059
loop_
_publ_author_name
'Massa, W.'
'Yakubovich, O.V.'
'Dimitrova, O.V.'
_publ_section_title
;
 A Novel Modification of Manganese Orthophosphate Mn3 (P O4)2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              950
_journal_page_last               956
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Mn3 O8 P2'
_chemical_name_systematic        'Mn3 (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                 95.276
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.2344
_cell_length_b                   6.6739
_cell_length_c                   8.9688
_cell_volume                     311.987
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Massa_SSSCFJ_2005_1933.cif
_cod_data_source_block           Mn3O8P2
_cod_original_cell_volume        311.9874
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1535059
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
O4 O-2 0.1258 0.9844 0.86217 1 0.0
O2 O-2 -0.1738 0.6279 0.68266 1 0.0
P1 P+5 0.53734 0.66597 0.69319 1 0.0
Mn2 Mn+2 0 0.5 0.5 1 0.0
O3 O-2 0.4896 0.7088 0.85655 1 0.0
O1 O-2 0.0427 0.34299 0.91109 1 0.0
Mn1 Mn+2 0.08844 0.65578 0.87292 1 0.0
