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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/8/10/39/8103907.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_8103907
loop_
_publ_author_name
'Somer, M.'
'Carillo-Cabrera, W.'
'Peters, E.M.'
'von Schnering, H.G.'
'Peters, K.'
_publ_section_title
;
 Crystal structure of tricesium phosphido-arsenidoborate, Cs3 B P As
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              192
_journal_page_last               192
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'As B Cs3 P'
_chemical_name_systematic        'Cs3 (B P As)'
_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                 110.179
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.985
_cell_length_b                   9.809
_cell_length_c                   10.016
_cell_volume                     920.782
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1996_1882.cif
_cod_data_source_block           As1B1Cs3P1
_cod_original_cell_volume        920.7817
_cod_original_formula_sum        'As1 B1 Cs3 P1'
_cod_database_code               8103907
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
Cs2 Cs+1 0.5 0.84371 0.25 1 0.0
B1 B+3 0.5 0.2115 0.25 1 0.0
Cs1 Cs+1 0.20487 0.94852 0.48086 1 0.0
As1 As-3 0.37989 0.22295 0.35654 0.5 0.0
P1 P-3 0.3784 0.1975 0.3503 0.5 0.0
