#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/65/2106526.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_2106526
loop_
_publ_author_name
'Jeitschko, W.'
'Donohue, P.C.'
_publ_section_title
;
 High-pressure Mn P4 , a polyphosphide with Mn-Mn pairs
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              574
_journal_page_last               580
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Mn P4'
_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                 94.71
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.513
_cell_length_b                   5.0944
_cell_length_c                   21.804
_cell_volume                     1163.823
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jeitschko_ACBCAR_1975_1913.cif
_cod_data_source_block           Mn1P4
_cod_original_formula_sum        'Mn1 P4'
_cod_database_code               2106526
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
P3 P 0.07973 0.4207 0.07441 1 0.0
P4 P 0.77567 0.8099 0.04916 1 0.0
Mn1 Mn 0.92576 0.1172 0.07002 1 0.0
P5 P 0.47458 0.5175 0.17056 1 0.0
P1 P 0.57712 0.3274 0.03698 1 0.0
P6 P 0.17128 0.1223 0.21538 1 0.0
P8 P 0.46793 0.1058 0.19999 1 0.0
P2 P 0.76977 0.409 0.0834 1 0.0
P7 P 0.16026 0.5081 0.16917 1 0.0
Mn2 Mn 0.31551 0.8018 0.18209 1 0.0
