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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107439.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_2107439
loop_
_publ_author_name
'Rea, J.R.'
'Kostiner, E.'
_publ_section_title
;
 The crystal structure of manganese chlorophosphate, Mn2 (P O4) Cl
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2505
_journal_page_last               2509
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cl Mn2 O4 P'
_chemical_name_systematic        'Mn2 (P O4) Cl'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.364
_cell_length_b                   8.0965
_cell_length_c                   4.9053
_cell_volume                     451.330
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rea_ACBCAR_1972_411.cif
_cod_data_source_block           Cl1Mn2O4P1
_cod_original_cell_volume        451.33
_cod_original_formula_sum        'Cl1 Mn2 O4 P1'
_cod_database_code               2107439
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-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
O1 O-2 0.7737 0.9636 0.8552 1 0.0
O3 O-2 0.5443 0.6242 0.2982 1 0.0
O4 O-2 0.7297 0.7766 0.3534 1 0.0
P1 P+5 0.6642 0.6218 0.4539 1 0.0
Mn2 Mn+2 0.6243 0.8458 0.0042 1 0.0
O2 O-2 0.6494 0.6208 0.7632 1 0.0
Mn1 Mn+2 0.8801 0.8962 0.5 1 0.0
Cl1 Cl-1 0.9341 0.6206 0.7647 1 0.0
