data_41509-ICSD
#©2006 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                41509
_audit_creation_date               1999/11/30
_audit_update_record               2006/04/01
_chemical_name_systematic          'Manganese - Gamma, Ht'
_chemical_formula_structural       Mn
_chemical_formula_sum              Mn1
_publ_section_title
;
Theory of bonding in transition-metal carbides and nitrides
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
 1993 48 11685 11691 PRBMDO
2 'Phase Transition' 1992 38 127 220 PHTRDP
loop_
_publ_author_name
'Haglund, J.'
'Fernandez Guillermet, F.'
'Grimvall, G.'
'Korling, M.'
_cell_length_a                     3.49
_cell_length_b                     3.49
_cell_length_c                     3.49
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       42.51
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'F m -3 m'
_symmetry_Int_Tables_number        225
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'z, y, -x'
  2	'y, x, -z'
  3	'x, z, -y'
  4	'z, x, -y'
  5	'y, z, -x'
  6	'x, y, -z'
  7	'z, -y, x'
  8	'y, -x, z'
  9	'x, -z, y'
 10	'z, -x, y'
 11	'y, -z, x'
 12	'x, -y, z'
 13	'-z, y, x'
 14	'-y, x, z'
 15	'-x, z, y'
 16	'-z, x, y'
 17	'-y, z, x'
 18	'-x, y, z'
 19	'-z, -y, -x'
 20	'-y, -x, -z'
 21	'-x, -z, -y'
 22	'-z, -x, -y'
 23	'-y, -z, -x'
 24	'-x, -y, -z'
 25	'-z, -y, x'
 26	'-y, -x, z'
 27	'-x, -z, y'
 28	'-z, -x, y'
 29	'-y, -z, x'
 30	'-x, -y, z'
 31	'-z, y, -x'
 32	'-y, x, -z'
 33	'-x, z, -y'
 34	'-z, x, -y'
 35	'-y, z, -x'
 36	'-x, y, -z'
 37	'z, -y, -x'
 38	'y, -x, -z'
 39	'x, -z, -y'
 40	'z, -x, -y'
 41	'y, -z, -x'
 42	'x, -y, -z'
 43	'z, y, x'
 44	'y, x, z'
 45	'x, z, y'
 46	'z, x, y'
 47	'y, z, x'
 48	'x, y, z'
 49	'z, y+1/2, -x+1/2'
 50	'z+1/2, y, -x+1/2'
 51	'z+1/2, y+1/2, -x'
 52	'y, x+1/2, -z+1/2'
 53	'y+1/2, x, -z+1/2'
 54	'y+1/2, x+1/2, -z'
 55	'x, z+1/2, -y+1/2'
 56	'x+1/2, z, -y+1/2'
 57	'x+1/2, z+1/2, -y'
 58	'z, x+1/2, -y+1/2'
 59	'z+1/2, x, -y+1/2'
 60	'z+1/2, x+1/2, -y'
 61	'y, z+1/2, -x+1/2'
 62	'y+1/2, z, -x+1/2'
 63	'y+1/2, z+1/2, -x'
 64	'x, y+1/2, -z+1/2'
 65	'x+1/2, y, -z+1/2'
 66	'x+1/2, y+1/2, -z'
 67	'z, -y+1/2, x+1/2'
 68	'z+1/2, -y, x+1/2'
 69	'z+1/2, -y+1/2, x'
 70	'y, -x+1/2, z+1/2'
 71	'y+1/2, -x, z+1/2'
 72	'y+1/2, -x+1/2, z'
 73	'x, -z+1/2, y+1/2'
 74	'x+1/2, -z, y+1/2'
 75	'x+1/2, -z+1/2, y'
 76	'z, -x+1/2, y+1/2'
 77	'z+1/2, -x, y+1/2'
 78	'z+1/2, -x+1/2, y'
 79	'y, -z+1/2, x+1/2'
 80	'y+1/2, -z, x+1/2'
 81	'y+1/2, -z+1/2, x'
 82	'x, -y+1/2, z+1/2'
 83	'x+1/2, -y, z+1/2'
 84	'x+1/2, -y+1/2, z'
 85	'-z, y+1/2, x+1/2'
 86	'-z+1/2, y, x+1/2'
 87	'-z+1/2, y+1/2, x'
 88	'-y, x+1/2, z+1/2'
 89	'-y+1/2, x, z+1/2'
 90	'-y+1/2, x+1/2, z'
 91	'-x, z+1/2, y+1/2'
 92	'-x+1/2, z, y+1/2'
 93	'-x+1/2, z+1/2, y'
 94	'-z, x+1/2, y+1/2'
 95	'-z+1/2, x, y+1/2'
 96	'-z+1/2, x+1/2, y'
 97	'-y, z+1/2, x+1/2'
 98	'-y+1/2, z, x+1/2'
 99	'-y+1/2, z+1/2, x'
100	'-x, y+1/2, z+1/2'
101	'-x+1/2, y, z+1/2'
102	'-x+1/2, y+1/2, z'
103	'-z, -y+1/2, -x+1/2'
104	'-z+1/2, -y, -x+1/2'
105	'-z+1/2, -y+1/2, -x'
106	'-y, -x+1/2, -z+1/2'
107	'-y+1/2, -x, -z+1/2'
108	'-y+1/2, -x+1/2, -z'
109	'-x, -z+1/2, -y+1/2'
110	'-x+1/2, -z, -y+1/2'
111	'-x+1/2, -z+1/2, -y'
112	'-z, -x+1/2, -y+1/2'
113	'-z+1/2, -x, -y+1/2'
114	'-z+1/2, -x+1/2, -y'
115	'-y, -z+1/2, -x+1/2'
116	'-y+1/2, -z, -x+1/2'
117	'-y+1/2, -z+1/2, -x'
118	'-x, -y+1/2, -z+1/2'
119	'-x+1/2, -y, -z+1/2'
120	'-x+1/2, -y+1/2, -z'
121	'-z, -y+1/2, x+1/2'
122	'-z+1/2, -y, x+1/2'
123	'-z+1/2, -y+1/2, x'
124	'-y, -x+1/2, z+1/2'
125	'-y+1/2, -x, z+1/2'
126	'-y+1/2, -x+1/2, z'
127	'-x, -z+1/2, y+1/2'
128	'-x+1/2, -z, y+1/2'
129	'-x+1/2, -z+1/2, y'
130	'-z, -x+1/2, y+1/2'
131	'-z+1/2, -x, y+1/2'
132	'-z+1/2, -x+1/2, y'
133	'-y, -z+1/2, x+1/2'
134	'-y+1/2, -z, x+1/2'
135	'-y+1/2, -z+1/2, x'
136	'-x, -y+1/2, z+1/2'
137	'-x+1/2, -y, z+1/2'
138	'-x+1/2, -y+1/2, z'
139	'-z, y+1/2, -x+1/2'
140	'-z+1/2, y, -x+1/2'
141	'-z+1/2, y+1/2, -x'
142	'-y, x+1/2, -z+1/2'
143	'-y+1/2, x, -z+1/2'
144	'-y+1/2, x+1/2, -z'
145	'-x, z+1/2, -y+1/2'
146	'-x+1/2, z, -y+1/2'
147	'-x+1/2, z+1/2, -y'
148	'-z, x+1/2, -y+1/2'
149	'-z+1/2, x, -y+1/2'
150	'-z+1/2, x+1/2, -y'
151	'-y, z+1/2, -x+1/2'
152	'-y+1/2, z, -x+1/2'
153	'-y+1/2, z+1/2, -x'
154	'-x, y+1/2, -z+1/2'
155	'-x+1/2, y, -z+1/2'
156	'-x+1/2, y+1/2, -z'
157	'z, -y+1/2, -x+1/2'
158	'z+1/2, -y, -x+1/2'
159	'z+1/2, -y+1/2, -x'
160	'y, -x+1/2, -z+1/2'
161	'y+1/2, -x, -z+1/2'
162	'y+1/2, -x+1/2, -z'
163	'x, -z+1/2, -y+1/2'
164	'x+1/2, -z, -y+1/2'
165	'x+1/2, -z+1/2, -y'
166	'z, -x+1/2, -y+1/2'
167	'z+1/2, -x, -y+1/2'
168	'z+1/2, -x+1/2, -y'
169	'y, -z+1/2, -x+1/2'
170	'y+1/2, -z, -x+1/2'
171	'y+1/2, -z+1/2, -x'
172	'x, -y+1/2, -z+1/2'
173	'x+1/2, -y, -z+1/2'
174	'x+1/2, -y+1/2, -z'
175	'z, y+1/2, x+1/2'
176	'z+1/2, y, x+1/2'
177	'z+1/2, y+1/2, x'
178	'y, x+1/2, z+1/2'
179	'y+1/2, x, z+1/2'
180	'y+1/2, x+1/2, z'
181	'x, z+1/2, y+1/2'
182	'x+1/2, z, y+1/2'
183	'x+1/2, z+1/2, y'
184	'z, x+1/2, y+1/2'
185	'z+1/2, x, y+1/2'
186	'z+1/2, x+1/2, y'
187	'y, z+1/2, x+1/2'
188	'y+1/2, z, x+1/2'
189	'y+1/2, z+1/2, x'
190	'x, y+1/2, z+1/2'
191	'x+1/2, y, z+1/2'
192	'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0+  	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Mn1 Mn0+ 4 a 0 0 0 1. 0 

#End of data_41509-ICSD


data_41775-ICSD
#©2006 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                41775
_audit_creation_date               2000/07/15
_audit_update_record               2006/04/01
_chemical_name_systematic          'Manganese - Beta'
_chemical_formula_structural       Mn
_chemical_formula_sum              Mn1
_publ_section_title
;
Refinement of the structure of beta-manganese and of a related phase 
in the Mn-Ni-Si system
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1978 34 3573 3576 ACBCAR
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
loop_
_publ_author_name
'Shoemaker, C.B.'
'Shoemaker, D.P.'
'Hopkins, T.E.'
'Yindepit, S.'
_cell_length_a                     6.315(2)
_cell_length_b                     6.315(2)
_cell_length_c                     6.315(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       251.84
_cell_formula_units_Z              20
_symmetry_space_group_name_H-M     'P 41 3 2'
_symmetry_Int_Tables_number        213
_refine_ls_R_factor_all            0.03
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z+1/4, y+3/4, x+1/4'
  2	'z+1/4, -y+1/4, x+3/4'
  3	'z+3/4, y+1/4, -x+1/4'
  4	'-z+3/4, -y+3/4, -x+3/4'
  5	'y+3/4, x+1/4, -z+1/4'
  6	'-y+1/4, x+3/4, z+1/4'
  7	'y+1/4, -x+1/4, z+3/4'
  8	'-y+3/4, -x+3/4, -z+3/4'
  9	'x+1/4, -z+1/4, y+3/4'
 10	'x+3/4, z+1/4, -y+1/4'
 11	'-x+1/4, z+3/4, y+1/4'
 12	'-x+3/4, -z+3/4, -y+3/4'
 13	'z+1/2, -x+1/2, -y'
 14	'-z+1/2, -x, y+1/2'
 15	'-z, x+1/2, -y+1/2'
 16	'z, x, y'
 17	'-y, z+1/2, -x+1/2'
 18	'y+1/2, -z+1/2, -x'
 19	'-y+1/2, -z, x+1/2'
 20	'y, z, x'
 21	'-x+1/2, -y, z+1/2'
 22	'-x, y+1/2, -z+1/2'
 23	'x+1/2, -y+1/2, -z'
 24	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0+  	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Mn1 Mn0+ 8 c 0.06361(10) 0.06361 0.06361 1. 0 
Mn2 Mn0+ 12 d 0.125 0.20224(11) 0.45224(1) 1. 0 

#End of data_41775-ICSD


data_42743-ICSD
#©2006 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                42743
_audit_creation_date               2000/07/15
_audit_update_record               2006/04/01
_chemical_name_systematic          'Manganese - Alpha'
_chemical_formula_structural       Mn
_chemical_formula_sum              Mn1
_publ_section_title
;
A refinement of the atomic and thermal parameters of alpha-manganese 
from a single crystal
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica B (24,1968-38,1982)' 1970 26 1499 1504 ACBCAR
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
loop_
_publ_author_name
'Oberteuffer, J.A.'
'Ibers, J.A.'
_cell_length_a                     8.911(2)
_cell_length_b                     8.911(2)
_cell_length_c                     8.911(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       707.59
_cell_formula_units_Z              58
_symmetry_space_group_name_H-M     'I -4 3 m'
_symmetry_Int_Tables_number        217
_refine_ls_R_factor_all            0.084
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'-z, -y, x'
  2	'-y, -x, z'
  3	'-x, -z, y'
  4	'-z, -x, y'
  5	'-y, -z, x'
  6	'-x, -y, z'
  7	'-z, y, -x'
  8	'-y, x, -z'
  9	'-x, z, -y'
 10	'-z, x, -y'
 11	'-y, z, -x'
 12	'-x, y, -z'
 13	'z, -y, -x'
 14	'y, -x, -z'
 15	'x, -z, -y'
 16	'z, -x, -y'
 17	'y, -z, -x'
 18	'x, -y, -z'
 19	'z, y, x'
 20	'y, x, z'
 21	'x, z, y'
 22	'z, x, y'
 23	'y, z, x'
 24	'x, y, z'
 25	'-z+1/2, -y+1/2, x+1/2'
 26	'-y+1/2, -x+1/2, z+1/2'
 27	'-x+1/2, -z+1/2, y+1/2'
 28	'-z+1/2, -x+1/2, y+1/2'
 29	'-y+1/2, -z+1/2, x+1/2'
 30	'-x+1/2, -y+1/2, z+1/2'
 31	'-z+1/2, y+1/2, -x+1/2'
 32	'-y+1/2, x+1/2, -z+1/2'
 33	'-x+1/2, z+1/2, -y+1/2'
 34	'-z+1/2, x+1/2, -y+1/2'
 35	'-y+1/2, z+1/2, -x+1/2'
 36	'-x+1/2, y+1/2, -z+1/2'
 37	'z+1/2, -y+1/2, -x+1/2'
 38	'y+1/2, -x+1/2, -z+1/2'
 39	'x+1/2, -z+1/2, -y+1/2'
 40	'z+1/2, -x+1/2, -y+1/2'
 41	'y+1/2, -z+1/2, -x+1/2'
 42	'x+1/2, -y+1/2, -z+1/2'
 43	'z+1/2, y+1/2, x+1/2'
 44	'y+1/2, x+1/2, z+1/2'
 45	'x+1/2, z+1/2, y+1/2'
 46	'z+1/2, x+1/2, y+1/2'
 47	'y+1/2, z+1/2, x+1/2'
 48	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0+  	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Mn1 Mn0+ 2 a 0 0 0 1. 0 0.447(23) 
Mn2 Mn0+ 8 c 0.31787(10) 0.31787 0.31787 1. 0 0.454(12) 
Mn3 Mn0+ 24 g 0.35706(6) 0.35706 0.03457(9) 1. 0 0.423(7) 
Mn4 Mn0+ 24 g 0.08958(6) 0.08958 0.28194(9) 1. 0 0.391(7) 

#End of data_42743-ICSD


