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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/2/10/62/2106256.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106256
loop_
_publ_author_name
'Bissert, G.'
'Liebau, F.'
_publ_section_title
;
 Die Kristallstruktur von monoklinem Siliziumphosphat Si P2 O7 (AIII):
 Eine Phase mit (Si O6)-Oktaedern
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              233
_journal_page_last               239
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'O7 P2 Si'
_chemical_name_systematic        'Si P2 O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.73
_cell_length_b                   6.33
_cell_length_c                   14.71
_cell_volume                     440.430
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bissert_ACBCAR_1970_1800.cif
_cod_data_source_block           O7P2Si1
_cod_original_cell_volume        440.43
_cod_original_formula_sum        'O7 P2 Si1'
_cod_database_code               2106256
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O1 O-2 0.711 0.5622 0.0881 1 0.0
P2 P+5 0.7381 0.3937 0.1684 1 0.0
O7 O-2 0.8387 0.5084 0.2525 1 0.0
O6 O-2 0.4515 0.2951 0.1794 1 0.0
O4 O-2 0.0498 0.8643 0.0916 1 0.0
O3 O-2 0.5449 0.9171 0.1376 1 0.0
P1 P+5 0.7457 0.808 0.0725 1 0.0
O5 O-2 0.9507 0.2404 0.1311 1 0.0
O2 O-2 0.6607 0.8314 -0.0248 1 0.0
Si1 Si+4 0.2495 0.0825 0.1353 1 0.0
