#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/73/2107377.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_2107377
loop_
_publ_author_name
'Thurn, H.'
'Krebs, H.'
_publ_section_title
;
 Ueber Struktur und Eigenschaften der Halbmetalle. XXII. Die
 Kristallstruktur des Hittorfschen Phosphors
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              125
_journal_page_last               135
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            P
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.1
_cell_angle_gamma                90
_cell_formula_units_Z            84
_cell_length_a                   9.21
_cell_length_b                   9.15
_cell_length_c                   22.6
_cell_volume                     1829.838
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thurn_ACBCAR_1969_1260.cif
_cod_data_source_block           P1
_cod_original_formula_sum        P1
_cod_database_code               2107377
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
P16 P -0.74959 -0.59445 0.0442 1 0.0
P2 P 0.17387 0.03262 0.11695 1 0.0
P12 P -0.2514 -0.09081 0.04464 1 0.0
P19 P -0.40394 -0.17616 0.1694 1 0.0
P14 P -0.49167 -0.35276 0.03304 1 0.0
P20 P -0.58144 -0.35419 0.16732 1 0.0
P11 P -0.21153 0.13878 0.07346 1 0.0
P4 P 0.05014 -0.05231 0.18035 1 0.0
P17 P 0.146 0.38905 0.17219 1 0.0
P1 P 0.30089 0.20127 0.18147 1 0.0
P8 P -0.57576 -0.72259 0.11672 1 0.0
P6 P -0.31537 -0.48468 0.10402 1 0.0
P13 P -0.46426 -0.12736 0.06842 1 0.0
P18 P -0.13962 0.10055 0.17357 1 0.0
P7 P -0.43399 -0.55068 0.17224 1 0.0
P3 P -0.07589 -0.21901 0.11634 1 0.0
P5 P -0.20537 -0.32128 0.1738 1 0.0
P10 P -0.00092 0.15881 0.04497 1 0.0
P15 P -0.69485 -0.36285 0.06617 1 0.0
P21 P -0.05418 0.32296 0.2006 1 0.0
P9 P 0.0412 0.39067 0.07245 1 0.0
