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#$Date: 2016-01-09 13:46:07 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173838 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/38/7223824.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_7223824
loop_
_publ_author_name
'Eisenmann, B.'
'Jordan, H.'
'Schaefer, H.'
_publ_section_title
;
 Ba3 Si4 P6, eine neue Zintlphase mit vernetzten Si4 P5-Kaefigen
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              864
_journal_page_last               867
_journal_volume                  39
_journal_year                    1984
_chemical_formula_sum            'Ba3 P6 Si4'
_chemical_name_systematic        'Ba3 Si4 P6'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.41
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.537
_cell_length_b                   7.281
_cell_length_c                   7.527
_cell_volume                     623.767
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Eisenmann_ZNBAD2_1984_1251.cif
_cod_data_source_block           Ba3P6Si4
_cod_original_cell_volume        623.7666
_cod_database_code               7223824
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
P1 P-3 0.6823 0.4996 0.2991 1 0.0
P2 P-3 0.6821 0.4996 0.7924 1 0.0
P3 P-3 0.9147 0.25 0.6041 1 0.0
Si3 Si+3 0.591 0.0783 0.023 1 0.0
P4 P-3 0.9135 0.25 0.1027 1 0.0
Ba3 Ba+2 0.5059 0.25 0.5014 1 0.0
Ba2 Ba+2 0.147 0.25 0.9123 1 0.0
Si2 Si+3 0.7976 0.25 0.8211 1 0.0
Si1 Si+3 0.7974 0.25 0.3264 1 0.0
Ba1 Ba+2 0.1368 0.25 0.4081 1 0.0
