#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/36/8103663.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_8103663
loop_
_publ_author_name
'Liebau, F.'
'Hesse, K.F.'
_publ_section_title
;
 Die Kristallstruktur einer zweiten monoklinen Siliciumdiphosphatphase, Si
 P2 O7 A IV, Mit oktaedrisch koordiniertem Silicium
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              213
_journal_page_last               224
_journal_volume                  133
_journal_year                    1971
_chemical_formula_sum            'O7 P2 Si'
_chemical_name_systematic        'Si (P2 O7)'
_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                 91.03
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.733
_cell_length_b                   12.019
_cell_length_c                   7.654
_cell_volume                     435.335
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Liebau_ZEKGAX_1971_1020.cif
_cod_data_source_block           O7P2Si1
_cod_original_cell_volume        435.3345
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'O7 P2 Si1'
_cod_database_code               8103663
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
O6 O-2 0.495 0.7366 0.43 1 0.0
P1 P+5 0.6959 0.5178 0.1966 1 0.0
O5 O-2 0.8849 0.6856 0.6332 1 0.0
P2 P+5 0.7799 0.6969 0.448 1 0.0
O3 O-2 0.9154 0.436 0.1399 1 0.0
O7 O-2 0.971 0.7633 0.3356 1 0.0
Si1 Si+4 0.284 0.8495 0.3462 1 0.0
O1 O-2 0.7935 0.573 0.3772 1 0.0
O2 O-2 0.4302 0.4649 0.2363 1 0.0
O4 O-2 0.6654 0.6105 0.0648 1 0.0
