#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/46/1534612.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_1534612
loop_
_publ_author_name
'Glaum, R.'
'Thauern, H.'
'Schmidt, A.'
'Gerk, M.'
_publ_section_title
;
 Beitraege zum Koordinationsverhalten von Oxidionen in anorganischen
 Feststoffen.III. Mn2 P2 O7, Mn2 P4 O12 und Mn2 Si (P2 O7)2 -
 Kristallzuechtung, Strukturverfeinerungen und Elektronenspektren von
 Mangan(II)-Phosphaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2800
_journal_page_last               2808
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Mn2 O14 P4 Si'
_chemical_name_systematic        'Mn2 Si (P2 O7)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.072
_cell_length_b                   5.045
_cell_length_c                   12.388
_cell_volume                     1037.259
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Glaum_ZAACAB_2002_686.cif
_cod_data_source_block           Mn2O14P4Si1
_cod_original_formula_sum        'Mn2 O14 P4 Si1'
_cod_database_code               1534612
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
Mn1 Mn+2 0.24607 0.15376 0.63131 1 0.0
O4 O-2 0.09125 0.7842 0.51514 1 0.0
O5 O-2 0.34714 -0.0756 0.63041 1 0.0
O3 O-2 0.31086 0.3051 0.79884 1 0.0
P2 P+5 0.13339 0.83132 0.41473 1 0.0
O6 O-2 0.29901 0.4753 0.54717 1 0.0
O2 O-2 0.13921 0.3588 0.61793 1 0.0
Si1 Si+4 0 0.8514 0.75 1 0.0
O7 O-2 0.06295 0.9622 0.32993 1 0.0
O1 O-2 0.04324 0.6639 0.67666 1 0.0
P1 P+5 0.12154 0.64107 0.63227 1 0.0
