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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/57/1535799.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_1535799
loop_
_publ_author_name
'Murashova, E.V.'
'Chudinova, N.N.'
_publ_section_title
;
 Synthesis and structure of a new modification of manganese(II)
 ultraphosphate
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1424
_journal_page_last               1429
_journal_volume                  39
_journal_year                    1994
_chemical_formula_sum            'Mn O11 P4'
_chemical_name_systematic        'Mn (P4 O11)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.57
_cell_angle_beta                 108.93
_cell_angle_gamma                90.34
_cell_formula_units_Z            4
_cell_length_a                   9.306
_cell_length_b                   9.271
_cell_length_c                   10.758
_cell_volume                     826.047
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Murashova_ZNOKAQ_1994_1451.cif
_cod_data_source_block           Mn1O11P4
_cod_original_cell_volume        826.0469
_cod_original_formula_sum        'Mn1 O11 P4'
_cod_database_code               1535799
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O20 O-2 0.5877 -0.2128 0.1011 1 0.0
O15 O-2 0.1838 0.5833 0.3186 1 0.0
O3 O-2 -0.0945 -0.179 0.1831 1 0.0
Mn2 Mn+2 -0.233 0.2258 0.4958 1 0.0
P6 P+5 0.2525 -0.432 -0.0768 1 0.0
P2 P+5 0.0795 0.2356 0.3915 1 0.0
O2 O-2 0.1665 -0.0798 0.3835 1 0.0
O19 O-2 0.6786 0.0468 0.3 1 0.0
P1 P+5 0.0553 -0.086 0.2481 1 0.0
O1 O-2 0.0339 0.0895 0.257 1 0.0
Mn1 Mn+2 0.2703 0.2545 0.0211 1 0.0
O14 O-2 -0.0833 0.4926 0.1672 1 0.0
O17 O-2 0.3052 -0.4918 0.0372 1 0.0
O12 O-2 0.4655 0.4339 0.6477 1 0.0
O5 O-2 0.2593 0.2585 0.4413 1 0.0
O21 O-2 0.2667 0.612 0.6134 1 0.0
O22 O-2 0.5321 0.7021 0.8011 1 0.0
O11 O-2 0.3641 0.1887 0.651 1 0.0
P7 P+5 0.5894 -0.1043 0.2351 1 0.0
O16 O-2 0.114 0.3188 0.127 1 0.0
P5 P+5 0.079 0.4421 0.2339 1 0.0
O10 O-2 0.2611 0.027 0.0383 1 0.0
O8 O-2 0.2617 -0.2522 -0.0346 1 0.0
P8 P+5 0.3996 0.5855 0.7192 1 0.0
P3 P+5 0.2689 -0.1006 0.0883 1 0.0
O6 O-2 0.014 0.2328 0.4962 1 0.0
P4 P+5 0.4145 0.2623 0.5597 1 0.0
O13 O-2 0.5292 0.1939 0.5028 1 0.0
O4 O-2 0.1327 -0.1357 0.129 1 0.0
O9 O-2 0.4102 -0.0916 0.218 1 0.0
O18 O-2 0.3419 -0.4766 -0.1791 1 0.0
O7 O-2 0.033 0.3682 0.3349 1 0.0
